N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide

C32H35N3O3 — CID 42727671

IUPACN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOCCCN(C(=O)C1CC1c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1
InChIInChI=1S/C32H35N3O3/c1-21-15-16-25(19-22(21)2)35-30(33-29-14-9-8-13-26(29)32(35)37)23(3)34(17-10-18-38-4)31(36)28-20-27(28)24-11-6-5-7-12-24/h5-9,11-16,19,23,27-28H,10,17-18,20H2,1-4H3
InChIKeyGFRMHBGOGRVZJJ-UHFFFAOYSA-N
MW509.65 g/mol
LogP5.73
Rot. Bonds9

About N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide

N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 42727671) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID42727671
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC NameN-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOCCCN(C(=O)C1CC1c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1
InChIInChI=1S/C32H35N3O3/c1-21-15-16-25(19-22(21)2)35-30(33-29-14-9-8-13-26(29)32(35)37)23(3)34(17-10-18-38-4)31(36)28-20-27(28)24-11-6-5-7-12-24/h5-9,11-16,19,23,27-28H,10,17-18,20H2,1-4H3
InChIKeyGFRMHBGOGRVZJJ-UHFFFAOYSA-N
XLogP5.73
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 3447116
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpentanamide
CID 42719458
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylfuran-2-carboxamide
CID 42719459
1-butyl-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 4007420
2-fluoro-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42727689
(E)-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylprop-2-enamide
CID 42727703
3-bromo-N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 3494678
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-phenylethyl)benzamide
CID 3629448
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 42728858
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42720586
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
CID 3629447
N-[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
CID 1060280

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide (CID 42727671) is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide is COCCCN(C(=O)C1CC1c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GFRMHBGOGRVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-21-15-16-25(19-22(21)2)35-30(33-29-14-9-8-13-26(29)32(35)37)23(3)34(17-10-18-38-4)31(36)28-20-27(28)24-11-6-5-7-12-24/h5-9,11-16,19,23,27-28H,10,17-18,20H2,1-4H3.
What are the key properties of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide?
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 42727671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).