N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

C24H26N4O4 — CID 4907682

IUPACN-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C24H26N4O4/c1-15(29)25-18-10-12-19(13-11-18)26-22(30)17-8-6-16(7-9-17)14-28-23(31)20-4-2-3-5-21(20)27-24(28)32/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,25,29)(H,26,30)(H,27,32)
InChIKeyFXBLABPTZCQZHN-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.09
Rot. Bonds5

About N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 4907682) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID4907682
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1
InChIInChI=1S/C24H26N4O4/c1-15(29)25-18-10-12-19(13-11-18)26-22(30)17-8-6-16(7-9-17)14-28-23(31)20-4-2-3-5-21(20)27-24(28)32/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,25,29)(H,26,30)(H,27,32)
InChIKeyFXBLABPTZCQZHN-UHFFFAOYSA-N
XLogP3.09
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 4911387
N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4911578
methyl 3-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoate
CID 39354221
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(3-ethoxypropyl)cyclohexane-1-carboxamide
CID 22588201
lithium;4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylic acid;methyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate;hydroxide
CID 158566763
3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 39314217
tert-butyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 121374314
4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(4-phenylbutan-2-yl)cyclohexane-1-carboxamide
CID 15996888
N-[4-[1-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46475023
N-[(2-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 3266876
(2S,3R)-2-[[4-[[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 40944039
4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)cyclohexane-1-carboxamide
CID 15995107

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide (CID 4907682) is N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is FXBLABPTZCQZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15(29)25-18-10-12-19(13-11-18)26-22(30)17-8-6-16(7-9-17)14-28-23(31)20-4-2-3-5-21(20)27-24(28)32/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,25,29)(H,26,30)(H,27,32).
What are the key properties of N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide?
N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4907682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).