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

C28H37N3O2 — CID 3883776

IUPACN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
SMILESCCCCCC(=O)N(CCCCC)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C28H37N3O2/c1-5-7-9-18-26(32)30(19-12-8-6-2)22(4)27-29-25-17-11-10-16-24(25)28(33)31(27)23-15-13-14-21(3)20-23/h10-11,13-17,20,22H,5-9,12,18-19H2,1-4H3
InChIKeyDAVIDENXPVDDAG-UHFFFAOYSA-N
MW447.62 g/mol
LogP6.35
Rot. Bonds11

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

N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide (PubChem CID 3883776) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide.

Molecular Properties

Compound NameN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
PubChem CID3883776
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
SMILESCCCCCC(=O)N(CCCCC)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C28H37N3O2/c1-5-7-9-18-26(32)30(19-12-8-6-2)22(4)27-29-25-17-11-10-16-24(25)28(33)31(27)23-15-13-14-21(3)20-23/h10-11,13-17,20,22H,5-9,12,18-19H2,1-4H3
InChIKeyDAVIDENXPVDDAG-UHFFFAOYSA-N
XLogP6.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 56.35
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-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 3293377
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide
CID 42719093
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-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42719085
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpentanamide
CID 42719458
2-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42719027
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide?
The IUPAC name of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide (CID 3883776) is N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide.
What is the SMILES notation for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide?
The canonical SMILES for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide is CCCCCC(=O)N(CCCCC)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide?
The InChIKey is DAVIDENXPVDDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-5-7-9-18-26(32)30(19-12-8-6-2)22(4)27-29-25-17-11-10-16-24(25)28(33)31(27)23-15-13-14-21(3)20-23/h10-11,13-17,20,22H,5-9,12,18-19H2,1-4H3.
What are the key properties of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide?
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide has a molecular weight of 447.62 g/mol, XLogP of 6.35, 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-pentylhexanamide is sourced from PubChem (CID 3883776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).