N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide

C30H41N3O2 — CID 11612608

IUPACN-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
SMILESCCCCCCCCC(=O)N(CCCCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H41N3O2/c1-4-6-8-9-10-14-22-28(34)32(23-17-7-5-2)24(3)29-31-27-21-16-15-20-26(27)30(35)33(29)25-18-12-11-13-19-25/h11-13,15-16,18-21,24H,4-10,14,17,22-23H2,1-3H3
InChIKeyNMFMNJLEGAFZLI-UHFFFAOYSA-N
MW475.68 g/mol
LogP7.22
Rot. Bonds14

About N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide

N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide (PubChem CID 11612608) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide.

Molecular Properties

Compound NameN-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
PubChem CID11612608
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC NameN-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
SMILESCCCCCCCCC(=O)N(CCCCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H41N3O2/c1-4-6-8-9-10-14-22-28(34)32(23-17-7-5-2)24(3)29-31-27-21-16-15-20-26(27)30(35)33(29)25-18-12-11-13-19-25/h11-13,15-16,18-21,24H,4-10,14,17,22-23H2,1-3H3
InChIKeyNMFMNJLEGAFZLI-UHFFFAOYSA-N
XLogP7.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 57.22
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-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylheptanamide
CID 42716390
N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
CID 42715420
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
CID 3883776
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 3293377
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]nonanamide
CID 5030431
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpentanamide
CID 42719458
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)nonanamide
CID 42727899
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide?
The IUPAC name of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide (CID 11612608) is N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide.
What is the SMILES notation for N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide?
The canonical SMILES for N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide is CCCCCCCCC(=O)N(CCCCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide?
The InChIKey is NMFMNJLEGAFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-4-6-8-9-10-14-22-28(34)32(23-17-7-5-2)24(3)29-31-27-21-16-15-20-26(27)30(35)33(29)25-18-12-11-13-19-25/h11-13,15-16,18-21,24H,4-10,14,17,22-23H2,1-3H3.
What are the key properties of N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide?
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide has a molecular weight of 475.68 g/mol, XLogP of 7.22, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide is sourced from PubChem (CID 11612608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).