2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide

C88H111N15O12 — CID 161308394

IUPAC2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide
SMILESC.C=C1CCC(n2c(C)nc3cccc(CNC(=O)C4CC4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CC(C)(C)C)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CCCCCC)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CN(C)C)c3c2=O)C(=O)N1
InChIInChI=1S/C24H31N3O3.C23H29N3O3.C20H25N5O3.C20H22N4O3.CH4/c1-4-5-6-7-11-22(29)25-15-18-9-8-10-19-23(18)24(30)27(17(3)26-19)20-13-12-16(2)14-21(20)28;1-14-9-10-18(19(27)11-14)26-15(2)25-17-8-6-7-16(21(17)22(26)29)13-24-20(28)12-23(3,4)5;1-12-8-9-16(19(27)22-12)25-13(2)23-15-7-5-6-14(18(15)20(25)28)10-21-17(26)11-24(3)4;1-11-6-9-16(19(26)22-11)24-12(2)23-15-5-3-4-14(17(15)20(24)27)10-21-18(25)13-7-8-13;/h8-10,20H,2,4-7,11-15H2,1,3H3,(H,25,29);6-8,18H,1,9-13H2,2-5H3,(H,24,28);5-7,16H,1,8-11H2,2-4H3,(H,21,26)(H,22,27);3-5,13,16H,1,6-10H2,2H3,(H,21,25)(H,22,26);1H4
InChIKeyVIOIXNQAGDXUNN-UHFFFAOYSA-N
MW1570.95 g/mol
LogP10.93
Rot. Bonds21

About 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide

2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide (PubChem CID 161308394) has the molecular formula C88H111N15O12 and a molecular weight of 1570.95 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide
PubChem CID161308394
Molecular FormulaC88H111N15O12
Molecular Weight1570.95 g/mol
Exact Mass1569.85
IUPAC Name2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide
SMILESC.C=C1CCC(n2c(C)nc3cccc(CNC(=O)C4CC4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CC(C)(C)C)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CCCCCC)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CN(C)C)c3c2=O)C(=O)N1
InChIInChI=1S/C24H31N3O3.C23H29N3O3.C20H25N5O3.C20H22N4O3.CH4/c1-4-5-6-7-11-22(29)25-15-18-9-8-10-19-23(18)24(30)27(17(3)26-19)20-13-12-16(2)14-21(20)28;1-14-9-10-18(19(27)11-14)26-15(2)25-17-8-6-7-16(21(17)22(26)29)13-24-20(28)12-23(3,4)5;1-12-8-9-16(19(27)22-12)25-13(2)23-15-7-5-6-14(18(15)20(25)28)10-21-17(26)11-24(3)4;1-11-6-9-16(19(26)22-11)24-12(2)23-15-5-3-4-14(17(15)20(24)27)10-21-18(25)13-7-8-13;/h8-10,20H,2,4-7,11-15H2,1,3H3,(H,25,29);6-8,18H,1,9-13H2,2-5H3,(H,24,28);5-7,16H,1,8-11H2,2-4H3,(H,21,26)(H,22,27);3-5,13,16H,1,6-10H2,2H3,(H,21,25)(H,22,26);1H4
InChIKeyVIOIXNQAGDXUNN-UHFFFAOYSA-N
XLogP10.93
TPSA351.54 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001570.95
LogP ≤ 510.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

tert-butyl N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]carbamate
CID 58252856
N'-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]decanediamide
CID 153393708
1-(3-chloro-4-methylphenyl)-3-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]urea
CID 158843304
2-(4-chlorophenyl)-N-[[3-(2,4-dioxocyclohexyl)-2-methyl-4-oxoquinazolin-5-yl]methyl]acetamide
CID 148731223
5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-phenylpropyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]quinazolin-4-one;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 160568514
5-[3-(4-chlorophenyl)-3-oxopropyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one
CID 58252843
4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
CID 24963674
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
CID 66656780
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexanoate
CID 167386080
2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one
CID 159346483
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
CID 123383875
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]urea
CID 24963670

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide (CID 161308394) is 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide is C.C=C1CCC(n2c(C)nc3cccc(CNC(=O)C4CC4)c3c2=O)C(=O)N1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CC(C)(C)C)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CCCCCC)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CNC(=O)CN(C)C)c3c2=O)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide?
The InChIKey is VIOIXNQAGDXUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3.C23H29N3O3.C20H25N5O3.C20H22N4O3.CH4/c1-4-5-6-7-11-22(29)25-15-18-9-8-10-19-23(18)24(30)27(17(3)26-19)20-13-12-16(2)14-21(20)28;1-14-9-10-18(19(27)11-14)26-15(2)25-17-8-6-7-16(21(17)22(26)29)13-24-20(28)12-23(3,4)5;1-12-8-9-16(19(27)22-12)25-13(2)23-15-7-5-6-14(18(15)20(25)28)10-21-17(26)11-24(3)4;1-11-6-9-16(19(26)22-11)24-12(2)23-15-5-3-4-14(17(15)20(24)27)10-21-18(25)13-7-8-13;/h8-10,20H,2,4-7,11-15H2,1,3H3,(H,25,29);6-8,18H,1,9-13H2,2-5H3,(H,24,28);5-7,16H,1,8-11H2,2-4H3,(H,21,26)(H,22,27);3-5,13,16H,1,6-10H2,2H3,(H,21,25)(H,22,26);1H4.
What are the key properties of 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide?
2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide has a molecular weight of 1570.95 g/mol, XLogP of 10.93, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 161308394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).