1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one

C20H17ClFN3O — CID 148754917

IUPAC1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one
SMILESO=c1nc(N[C@H]2C[C@@H]2F)c2ccc(C3CC3)cc2n1-c1ccccc1Cl
InChIInChI=1S/C20H17ClFN3O/c21-14-3-1-2-4-17(14)25-18-9-12(11-5-6-11)7-8-13(18)19(24-20(25)26)23-16-10-15(16)22/h1-4,7-9,11,15-16H,5-6,10H2,(H,23,24,26)/t15-,16-/m0/s1
InChIKeyOFKNVVVDSFLNGX-HOTGVXAUSA-N
MW369.83 g/mol
LogP4.44
Rot. Bonds4

About 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one

1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one (PubChem CID 148754917) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one
PubChem CID148754917
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one
SMILESO=c1nc(N[C@H]2C[C@@H]2F)c2ccc(C3CC3)cc2n1-c1ccccc1Cl
InChIInChI=1S/C20H17ClFN3O/c21-14-3-1-2-4-17(14)25-18-9-12(11-5-6-11)7-8-13(18)19(24-20(25)26)23-16-10-15(16)22/h1-4,7-9,11,15-16H,5-6,10H2,(H,23,24,26)/t15-,16-/m0/s1
InChIKeyOFKNVVVDSFLNGX-HOTGVXAUSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one 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-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2(1H)-one
CID 147772151
6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 147854736
1-(2-chlorophenyl)-7-cyclopropyl-6-fluoro-4-(methylamino)quinazolin-2(1H)-one
CID 148114661
6-chloro-1-(2-chlorophenyl)-4-((cyclopropylmethyl)amino)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 150054326
4-((cyclopropylmethyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 150333238
(R)-4-((1-cyclopropylethyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 150380887
4(((2,2-difluorocyclopropyl)methyl)-amino)-1-phenyl-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 150829561
4-((2,2-difluorocyclopropyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 151315556
4-(((1S,2R)-2-fluorocyclopropyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 151996206
6-bromo-1-(2-chlorophenyl)-7-cyclopropyl-4-(((1S,2R)-2-fluorocyclo-propyl)amino)quinazolin-2(1H)-one
CID 152443085
7-cyclopropyl-4((2-fluoropropyl)-amino)-1-phenylquinazolin-2(1H)-one
CID 152716491
4-(((1R,2S)-2-fluorocyclopropyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 152903119

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one (CID 148754917) is 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one is O=c1nc(N[C@H]2C[C@@H]2F)c2ccc(C3CC3)cc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one?
The InChIKey is OFKNVVVDSFLNGX-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-14-3-1-2-4-17(14)25-18-9-12(11-5-6-11)7-8-13(18)19(24-20(25)26)23-16-10-15(16)22/h1-4,7-9,11,15-16H,5-6,10H2,(H,23,24,26)/t15-,16-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one?
1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one has a molecular weight of 369.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-7-cyclopropyl-4-[[(1S,2S)-2-fluorocyclopropyl]amino]quinazolin-2-one is sourced from PubChem (CID 148754917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).