N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide

C29H34N4O4 — CID 74824642

IUPACN-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N(c3ccc(CC(=O)NC4CC4)cc3)C(=O)C3CCCCC32)c1C
InChIInChI=1S/C29H34N4O4/c1-18-6-5-8-24(19(18)2)31-27(35)17-32-25-9-4-3-7-23(25)28(36)33(29(32)37)22-14-10-20(11-15-22)16-26(34)30-21-12-13-21/h5-6,8,10-11,14-15,21,23,25H,3-4,7,9,12-13,16-17H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyMZSREDJDWUEQPR-UHFFFAOYSA-N
MW502.62 g/mol
LogP4.09
Rot. Bonds7

About N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide

N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide (PubChem CID 74824642) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide
PubChem CID74824642
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC NameN-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N(c3ccc(CC(=O)NC4CC4)cc3)C(=O)C3CCCCC32)c1C
InChIInChI=1S/C29H34N4O4/c1-18-6-5-8-24(19(18)2)31-27(35)17-32-25-9-4-3-7-23(25)28(36)33(29(32)37)22-14-10-20(11-15-22)16-26(34)30-21-12-13-21/h5-6,8,10-11,14-15,21,23,25H,3-4,7,9,12-13,16-17H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyMZSREDJDWUEQPR-UHFFFAOYSA-N
XLogP4.09
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide with MolForge

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Related Compounds

2-[4-[1-[(2-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]-N-cyclohexylacetamide
CID 75545038
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
N-benzyl-2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
CID 78418497
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118004
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
2-[3-(3-chlorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 73370475
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide (CID 74824642) is N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide is Cc1cccc(NC(=O)CN2C(=O)N(c3ccc(CC(=O)NC4CC4)cc3)C(=O)C3CCCCC32)c1C.
What is the InChIKey of N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide?
The InChIKey is MZSREDJDWUEQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-18-6-5-8-24(19(18)2)31-27(35)17-32-25-9-4-3-7-23(25)28(36)33(29(32)37)22-14-10-20(11-15-22)16-26(34)30-21-12-13-21/h5-6,8,10-11,14-15,21,23,25H,3-4,7,9,12-13,16-17H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide?
N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide has a molecular weight of 502.62 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 74824642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).