(2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one

C20H16FN3O — CID 847899

IUPAC(2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1
InChIInChI=1S/C20H16FN3O/c1-13-5-4-8-18(22-13)19-23-17-7-3-2-6-16(17)20(25)24(19)15-11-9-14(21)10-12-15/h2-12,19,23H,1H3/t19-/m0/s1
InChIKeyRWGMDOAOBUVNIK-IBGZPJMESA-N
MW333.37 g/mol
LogP4.30
Rot. Bonds2

About (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one

(2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one (PubChem CID 847899) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
PubChem CID847899
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name(2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
SMILESCc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1
InChIInChI=1S/C20H16FN3O/c1-13-5-4-8-18(22-13)19-23-17-7-3-2-6-16(17)20(25)24(19)15-11-9-14(21)10-12-15/h2-12,19,23H,1H3/t19-/m0/s1
InChIKeyRWGMDOAOBUVNIK-IBGZPJMESA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
Evodiamine
CID 442088
Isoevodiamine
CID 151289
Gsk 172981
CID 25195091
R-(-)-evodiamine
CID 6971167
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
7-Iodo-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
CID 56967318
19,21-Dimethyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
CID 56967933
17-Fluoro-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
CID 56967986
17-Amino-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
CID 56968045
2-fluoro-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 11419978
3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
CID 44266459

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one (CID 847899) is (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one is Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1.
What is the InChIKey of (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is RWGMDOAOBUVNIK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16FN3O/c1-13-5-4-8-18(22-13)19-23-17-7-3-2-6-16(17)20(25)24(19)15-11-9-14(21)10-12-15/h2-12,19,23H,1H3/t19-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 333.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 847899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).