N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide

C19H18N4O2 — CID 167851167

IUPACN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)ccc2c(=O)[nH]1
InChIInChI=1S/C19H18N4O2/c1-10-21-17-8-12(4-7-14(17)19(25)22-10)18(24)23-13-5-2-11(3-6-13)15-9-16(15)20/h2-8,15-16H,9,20H2,1H3,(H,23,24)(H,21,22,25)/t15-,16+/m0/s1
InChIKeyIJPMCHWKYFIGPX-JKSUJKDBSA-N
MW334.38 g/mol
LogP2.30
Rot. Bonds3

About N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide

N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 167851167) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID167851167
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)ccc2c(=O)[nH]1
InChIInChI=1S/C19H18N4O2/c1-10-21-17-8-12(4-7-14(17)19(25)22-10)18(24)23-13-5-2-11(3-6-13)15-9-16(15)20/h2-8,15-16H,9,20H2,1H3,(H,23,24)(H,21,22,25)/t15-,16+/m0/s1
InChIKeyIJPMCHWKYFIGPX-JKSUJKDBSA-N
XLogP2.30
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
CID 86729837
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
CID 127035500
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;trihydrochloride
CID 129012193
[5-[[4-[(1S,2R)-2-aminocyclopropyl]phenyl]carbamoyl]-2-morpholin-4-ylphenyl]carbamic acid
CID 135334332
N-[4-(2-aminocyclopropyl)phenyl]naphthalene-1-carboxamide;hydrochloride
CID 170691820
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 47089420
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214092
4-[[(1S)-1-(7-chloro-2-methyl-4-oxo-3H-quinazolin-6-yl)ethyl]amino]benzoic acid
CID 178097653
N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135457087
benzyl N-[3-[[4-[(1S,2R)-2-aminocyclopropyl]phenyl]carbamoyl]phenyl]carbamate;hydrochloride
CID 127032253

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide (CID 167851167) is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide is Cc1nc2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)ccc2c(=O)[nH]1.
What is the InChIKey of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is IJPMCHWKYFIGPX-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-10-21-17-8-12(4-7-14(17)19(25)22-10)18(24)23-13-5-2-11(3-6-13)15-9-16(15)20/h2-8,15-16H,9,20H2,1H3,(H,23,24)(H,21,22,25)/t15-,16+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 167851167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).