N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide

C29H36N4O4 — CID 50762987

IUPACN-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCCC3)c(=O)c3ccccc32)c1
InChIInChI=1S/C29H36N4O4/c1-2-21-11-10-14-23(19-21)31-27(35)20-33-25-16-7-6-15-24(25)28(36)32(29(33)37)18-9-8-17-26(34)30-22-12-4-3-5-13-22/h6-7,10-11,14-16,19,22H,2-5,8-9,12-13,17-18,20H2,1H3,(H,30,34)(H,31,35)
InChIKeyKQQAGCFCPWCBNG-UHFFFAOYSA-N
MW504.63 g/mol
LogP3.98
Rot. Bonds10

About N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide

N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (PubChem CID 50762987) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
PubChem CID50762987
Molecular FormulaC29H36N4O4
Molecular Weight504.63 g/mol
Exact Mass504.27
IUPAC NameN-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCCC3)c(=O)c3ccccc32)c1
InChIInChI=1S/C29H36N4O4/c1-2-21-11-10-14-23(19-21)31-27(35)20-33-25-16-7-6-15-24(25)28(36)32(29(33)37)18-9-8-17-26(34)30-22-12-4-3-5-13-22/h6-7,10-11,14-16,19,22H,2-5,8-9,12-13,17-18,20H2,1H3,(H,30,34)(H,31,35)
InChIKeyKQQAGCFCPWCBNG-UHFFFAOYSA-N
XLogP3.98
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide with MolForge

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Related Compounds

5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763024
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
N-cyclopentyl-5-[2,4-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinazolin-3-yl]pentanamide
CID 22429724
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
5-[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763150
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762788
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15992650
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
CID 6619275

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The IUPAC name of N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (CID 50762987) is N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.
What is the SMILES notation for N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The canonical SMILES for N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is CCc1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCCC3)c(=O)c3ccccc32)c1.
What is the InChIKey of N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The InChIKey is KQQAGCFCPWCBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-2-21-11-10-14-23(19-21)31-27(35)20-33-25-16-7-6-15-24(25)28(36)32(29(33)37)18-9-8-17-26(34)30-22-12-4-3-5-13-22/h6-7,10-11,14-16,19,22H,2-5,8-9,12-13,17-18,20H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide has a molecular weight of 504.63 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is sourced from PubChem (CID 50762987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).