4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one

C18H16FN3O — CID 159284015

IUPAC4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one
SMILESCc1ccc2c(N[C@H]3C[C@H]3F)nc(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C18H16FN3O/c1-11-7-8-13-16(9-11)22(12-5-3-2-4-6-12)18(23)21-17(13)20-15-10-14(15)19/h2-9,14-15H,10H2,1H3,(H,20,21,23)/t14-,15+/m1/s1
InChIKeyKZGVYKHQUGGXTB-CABCVRRESA-N
MW309.34 g/mol
LogP3.22
Rot. Bonds3

About 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one

4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one (PubChem CID 159284015) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one
PubChem CID159284015
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one
SMILESCc1ccc2c(N[C@H]3C[C@H]3F)nc(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C18H16FN3O/c1-11-7-8-13-16(9-11)22(12-5-3-2-4-6-12)18(23)21-17(13)20-15-10-14(15)19/h2-9,14-15H,10H2,1H3,(H,20,21,23)/t14-,15+/m1/s1
InChIKeyKZGVYKHQUGGXTB-CABCVRRESA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one
CID 149172130
2-methyl-9-phenylcarbazole
CID 59552741
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 150809357
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
4-[[(2S)-2-fluorocyclopropyl]methyl]-5-methyl-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 158686890
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
7-cyclopropyl-1-[4-[1-(7-cyclopropyl-2-oxo-1-phenylquinazolin-4-yl)pyrrolidin-3-yl]phenyl]-4-(2,2,2-trifluoroethylamino)quinazolin-2-one
CID 167203416
1,3,8-trimethyl-6-phenyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 71319169
6-methyl-1-phenyl-2H-indazol-3-one
CID 135011697

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one?
The IUPAC name of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one (CID 159284015) is 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one.
What is the SMILES notation for 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one?
The canonical SMILES for 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one is Cc1ccc2c(N[C@H]3C[C@H]3F)nc(=O)n(-c3ccccc3)c2c1.
What is the InChIKey of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one?
The InChIKey is KZGVYKHQUGGXTB-CABCVRRESA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-7-8-13-16(9-11)22(12-5-3-2-4-6-12)18(23)21-17(13)20-15-10-14(15)19/h2-9,14-15H,10H2,1H3,(H,20,21,23)/t14-,15+/m1/s1.
What are the key properties of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one?
4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one has a molecular weight of 309.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-7-methyl-1-phenylquinazolin-2-one is sourced from PubChem (CID 159284015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).