N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide

C21H20N4O3 — CID 26059200

IUPACN-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H20N4O3/c26-19(11-12-25-13-22-18-4-2-1-3-17(18)21(25)28)23-15-7-9-16(10-8-15)24-20(27)14-5-6-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,23,26)(H,24,27)
InChIKeyKHMHHYRYMMLVAS-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.77
Rot. Bonds6

About N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide

N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 26059200) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID26059200
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H20N4O3/c26-19(11-12-25-13-22-18-4-2-1-3-17(18)21(25)28)23-15-7-9-16(10-8-15)24-20(27)14-5-6-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,23,26)(H,24,27)
InChIKeyKHMHHYRYMMLVAS-UHFFFAOYSA-N
XLogP2.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
CID 30804576
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 40836426
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 4911915
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
CID 4904289
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide (CID 26059200) is N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is KHMHHYRYMMLVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19(11-12-25-13-22-18-4-2-1-3-17(18)21(25)28)23-15-7-9-16(10-8-15)24-20(27)14-5-6-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,23,26)(H,24,27).
What are the key properties of N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 26059200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).