4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide

C21H18N4O2 — CID 135939873

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H18N4O2/c26-20(23-15-12-14-6-1-3-8-17(14)22-13-15)11-5-10-19-24-18-9-4-2-7-16(18)21(27)25-19/h1-4,6-9,12-13H,5,10-11H2,(H,23,26)(H,24,25,27)
InChIKeyKYSRPFAXRGMDMB-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.43
Rot. Bonds5

About 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide

4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide (PubChem CID 135939873) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
PubChem CID135939873
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H18N4O2/c26-20(23-15-12-14-6-1-3-8-17(14)22-13-15)11-5-10-19-24-18-9-4-2-7-16(18)21(27)25-19/h1-4,6-9,12-13H,5,10-11H2,(H,23,26)(H,24,25,27)
InChIKeyKYSRPFAXRGMDMB-UHFFFAOYSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135877243
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 136538485
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide (CID 135939873) is 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cnc2ccccc2c1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide?
The InChIKey is KYSRPFAXRGMDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20(23-15-12-14-6-1-3-8-17(14)22-13-15)11-5-10-19-24-18-9-4-2-7-16(18)21(27)25-19/h1-4,6-9,12-13H,5,10-11H2,(H,23,26)(H,24,25,27).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide?
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide has a molecular weight of 358.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide is sourced from PubChem (CID 135939873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).