N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide

C32H37N3O2 — CID 42719093

IUPACN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide
SMILESCCCCCCC(=O)N(CCc1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C32H37N3O2/c1-4-5-6-10-20-30(36)34(22-21-26-15-8-7-9-16-26)25(3)31-33-29-19-12-11-18-28(29)32(37)35(31)27-17-13-14-24(2)23-27/h7-9,11-19,23,25H,4-6,10,20-22H2,1-3H3
InChIKeyFGEXNZPSODLZCU-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.80
Rot. Bonds11

About N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide

N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide (PubChem CID 42719093) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide.

Molecular Properties

Compound NameN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide
PubChem CID42719093
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide
SMILESCCCCCCC(=O)N(CCc1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C32H37N3O2/c1-4-5-6-10-20-30(36)34(22-21-26-15-8-7-9-16-26)25(3)31-33-29-19-12-11-18-28(29)32(37)35(31)27-17-13-14-24(2)23-27/h7-9,11-19,23,25H,4-6,10,20-22H2,1-3H3
InChIKeyFGEXNZPSODLZCU-UHFFFAOYSA-N
XLogP6.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42719085
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
CID 3883776
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 3293377
N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 4300906
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-hexyl-3,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42719055
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42720700
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]nonanamide
CID 5030431
N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
CID 42715420

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide?
The IUPAC name of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide (CID 42719093) is N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide.
What is the SMILES notation for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide?
The canonical SMILES for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide is CCCCCCC(=O)N(CCc1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide?
The InChIKey is FGEXNZPSODLZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-4-5-6-10-20-30(36)34(22-21-26-15-8-7-9-16-26)25(3)31-33-29-19-12-11-18-28(29)32(37)35(31)27-17-13-14-24(2)23-27/h7-9,11-19,23,25H,4-6,10,20-22H2,1-3H3.
What are the key properties of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide?
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide has a molecular weight of 495.67 g/mol, XLogP of 6.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide is sourced from PubChem (CID 42719093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).