N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide

C20H20N4O2 — CID 136580210

IUPACN-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-12(13-8-10-15(11-9-13)22-18(25)14-6-7-14)21-20-23-17-5-3-2-4-16(17)19(26)24-20/h2-5,8-12,14H,6-7H2,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyPMFZHRBHKBFNGE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.44
Rot. Bonds5

About N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 136580210) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID136580210
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-12(13-8-10-15(11-9-13)22-18(25)14-6-7-14)21-20-23-17-5-3-2-4-16(17)19(26)24-20/h2-5,8-12,14H,6-7H2,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyPMFZHRBHKBFNGE-UHFFFAOYSA-N
XLogP3.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
CID 135751825
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3H-quinazolin-4-one
CID 137264134
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
CID 137098064
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide (CID 136580210) is N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide is CC(Nc1nc2ccccc2c(=O)[nH]1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is PMFZHRBHKBFNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(13-8-10-15(11-9-13)22-18(25)14-6-7-14)21-20-23-17-5-3-2-4-16(17)19(26)24-20/h2-5,8-12,14H,6-7H2,1H3,(H,22,25)(H2,21,23,24,26).
What are the key properties of N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 136580210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).