N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide

C29H33N3O3 — CID 42720693

IUPACN-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide
SMILESCCCCCC(=O)N(Cc1ccco1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C29H33N3O3/c1-5-6-7-14-27(33)31(19-23-11-10-17-35-23)22(4)28-30-25-13-9-8-12-24(25)29(34)32(28)26-18-20(2)15-16-21(26)3/h8-13,15-18,22H,5-7,14,19H2,1-4H3
InChIKeyKIJVWJXBOLPQTA-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.27
Rot. Bonds9

About N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide

N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide (PubChem CID 42720693) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide.

Molecular Properties

Compound NameN-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide
PubChem CID42720693
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide
SMILESCCCCCC(=O)N(Cc1ccco1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C29H33N3O3/c1-5-6-7-14-27(33)31(19-23-11-10-17-35-23)22(4)28-30-25-13-9-8-12-24(25)29(34)32(28)26-18-20(2)15-16-21(26)3/h8-13,15-18,22H,5-7,14,19H2,1-4H3
InChIKeyKIJVWJXBOLPQTA-UHFFFAOYSA-N
XLogP6.27
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.27
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

N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
CID 42720645
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42720622
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42720700
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-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 4641269
3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide
CID 4665911
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpropanamide
CID 42720601
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-hexylbenzamide
CID 42720685
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methoxy-N-pentylbenzamide
CID 16722317

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide?
The IUPAC name of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide (CID 42720693) is N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide.
What is the SMILES notation for N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide?
The canonical SMILES for N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide is CCCCCC(=O)N(Cc1ccco1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C.
What is the InChIKey of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide?
The InChIKey is KIJVWJXBOLPQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-5-6-7-14-27(33)31(19-23-11-10-17-35-23)22(4)28-30-25-13-9-8-12-24(25)29(34)32(28)26-18-20(2)15-16-21(26)3/h8-13,15-18,22H,5-7,14,19H2,1-4H3.
What are the key properties of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide?
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide has a molecular weight of 471.60 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)hexanamide is sourced from PubChem (CID 42720693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).