3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione

C29H36N6O4 — CID 139906932

IUPAC3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
SMILESCCn1c(=O)n(CC)c2cc(N(C)C)c(C(=O)N3CCC(n4c(=O)c5cc(C)ccc5n(C)c4=O)CC3)cc21
InChIInChI=1S/C29H36N6O4/c1-7-33-24-16-21(23(30(4)5)17-25(24)34(8-2)29(33)39)26(36)32-13-11-19(12-14-32)35-27(37)20-15-18(3)9-10-22(20)31(6)28(35)38/h9-10,15-17,19H,7-8,11-14H2,1-6H3
InChIKeyMGMRCZASQSLZKH-UHFFFAOYSA-N
MW532.65 g/mol
LogP2.71
Rot. Bonds5

About 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione

3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione (PubChem CID 139906932) has the molecular formula C29H36N6O4 and a molecular weight of 532.65 g/mol. Its IUPAC name is 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
PubChem CID139906932
Molecular FormulaC29H36N6O4
Molecular Weight532.65 g/mol
Exact Mass532.28
IUPAC Name3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
SMILESCCn1c(=O)n(CC)c2cc(N(C)C)c(C(=O)N3CCC(n4c(=O)c5cc(C)ccc5n(C)c4=O)CC3)cc21
InChIInChI=1S/C29H36N6O4/c1-7-33-24-16-21(23(30(4)5)17-25(24)34(8-2)29(33)39)26(36)32-13-11-19(12-14-32)35-27(37)20-15-18(3)9-10-22(20)31(6)28(35)38/h9-10,15-17,19H,7-8,11-14H2,1-6H3
InChIKeyMGMRCZASQSLZKH-UHFFFAOYSA-N
XLogP2.71
TPSA94.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione with MolForge

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Related Compounds

3-[1-[1,3-diethyl-2-oxo-6-(propan-2-ylamino)benzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 139906949
N-[6-[4-(1,6-dimethyl-2,4-dioxoquinazolin-3-yl)piperidine-1-carbonyl]-1-ethyl-3-methyl-2-oxobenzimidazol-5-yl]-2-hydroxyacetamide
CID 139907024
N-[6-[4-(6-chloro-1-methyl-2,4-dioxoquinazolin-3-yl)piperidine-1-carbonyl]-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-(dimethylamino)acetamide
CID 139907085
N-[1-ethyl-6-[4-(6-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)piperidine-1-carbonyl]-3-methyl-2-oxobenzimidazol-5-yl]-2-hydroxyacetamide
CID 139907084
acetamido 2-[6-[4-(6-chloro-1-methyl-2,4-dioxoquinazolin-3-yl)piperidine-1-carbonyl]-1,3-diethyl-2-oxobenzimidazol-5-yl]acetate
CID 139907050
3-[1-(1,3-diethyl-2-oxoimidazo[4,5-g]isoquinolin-5-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 139800928
3-[1-[8-(cyclohexylamino)-1,3-diethyl-2-oxoimidazo[4,5-g]phthalazin-5-yl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 139800961
3-[1-[5-chloro-1,3-bis(2-methylpropyl)-2-oxoimidazo[4,5-g]phthalazin-8-yl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 139800862
3-[1-(6,7-diethoxyquinazolin-4-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 22923353
3-[1-[1,3-dibutyl-2-oxo-8-(propylamino)imidazo[4,5-g]phthalazin-5-yl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
CID 139800871
1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262568
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione?
The IUPAC name of 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione (CID 139906932) is 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione.
What is the SMILES notation for 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione?
The canonical SMILES for 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione is CCn1c(=O)n(CC)c2cc(N(C)C)c(C(=O)N3CCC(n4c(=O)c5cc(C)ccc5n(C)c4=O)CC3)cc21.
What is the InChIKey of 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione?
The InChIKey is MGMRCZASQSLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O4/c1-7-33-24-16-21(23(30(4)5)17-25(24)34(8-2)29(33)39)26(36)32-13-11-19(12-14-32)35-27(37)20-15-18(3)9-10-22(20)31(6)28(35)38/h9-10,15-17,19H,7-8,11-14H2,1-6H3.
What are the key properties of 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione?
3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione has a molecular weight of 532.65 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(dimethylamino)-1,3-diethyl-2-oxobenzimidazole-5-carbonyl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione is sourced from PubChem (CID 139906932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).