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

C27H32N4O5 — CID 50763044

IUPACN-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)c1
InChIInChI=1S/C27H32N4O5/c1-36-21-12-8-11-20(17-21)29-25(33)18-31-23-14-5-4-13-22(23)26(34)30(27(31)35)16-7-6-15-24(32)28-19-9-2-3-10-19/h4-5,8,11-14,17,19H,2-3,6-7,9-10,15-16,18H2,1H3,(H,28,32)(H,29,33)
InChIKeyPTHQCXOVQWSHOY-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.04
Rot. Bonds10

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

N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (PubChem CID 50763044) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
PubChem CID50763044
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)c1
InChIInChI=1S/C27H32N4O5/c1-36-21-12-8-11-20(17-21)29-25(33)18-31-23-14-5-4-13-22(23)26(34)30(27(31)35)16-7-6-15-24(32)28-19-9-2-3-10-19/h4-5,8,11-14,17,19H,2-3,6-7,9-10,15-16,18H2,1H3,(H,28,32)(H,29,33)
InChIKeyPTHQCXOVQWSHOY-UHFFFAOYSA-N
XLogP3.04
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808
5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763024
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50762987
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
4-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
CID 155322951
N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762553
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762788
N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030708
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 15989362

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The IUPAC name of N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (CID 50763044) is N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.
What is the SMILES notation for N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The canonical SMILES for N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is COc1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)c1.
What is the InChIKey of N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The InChIKey is PTHQCXOVQWSHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-36-21-12-8-11-20(17-21)29-25(33)18-31-23-14-5-4-13-22(23)26(34)30(27(31)35)16-7-6-15-24(32)28-19-9-2-3-10-19/h4-5,8,11-14,17,19H,2-3,6-7,9-10,15-16,18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide has a molecular weight of 492.58 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is sourced from PubChem (CID 50763044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).