3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one

C23H18FN3O — CID 159791421

IUPAC3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one
SMILESCN1c2ccccc2C=CC12c1ccccc1NC(=O)N2c1cccc(F)c1
InChIInChI=1S/C23H18FN3O/c1-26-21-12-5-2-7-16(21)13-14-23(26)19-10-3-4-11-20(19)25-22(28)27(23)18-9-6-8-17(24)15-18/h2-15H,1H3,(H,25,28)
InChIKeyNIPKVCRCZCFHMH-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.19
Rot. Bonds1

About 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one

3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one (PubChem CID 159791421) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one
PubChem CID159791421
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one
SMILESCN1c2ccccc2C=CC12c1ccccc1NC(=O)N2c1cccc(F)c1
InChIInChI=1S/C23H18FN3O/c1-26-21-12-5-2-7-16(21)13-14-23(26)19-10-3-4-11-20(19)25-22(28)27(23)18-9-6-8-17(24)15-18/h2-15H,1H3,(H,25,28)
InChIKeyNIPKVCRCZCFHMH-UHFFFAOYSA-N
XLogP5.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluorophenyl)-1H-2,1,3-benzothiadiazole
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(1S,3R,3aR,6aR)-5-(3-fluorophenyl)-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 6351191
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922117
(15S,19S)-17-(3-fluorophenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1070621
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3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 4319482
(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]
CID 101009388
2-(2,4-difluorophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
CID 46259712
5-(2-chlorophenyl)-1-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79501903
(4S,5S)-5-(3-fluorophenyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-4,3'-indole]-2'-one
CID 102097039

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one?
The IUPAC name of 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one (CID 159791421) is 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one is CN1c2ccccc2C=CC12c1ccccc1NC(=O)N2c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one?
The InChIKey is NIPKVCRCZCFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-26-21-12-5-2-7-16(21)13-14-23(26)19-10-3-4-11-20(19)25-22(28)27(23)18-9-6-8-17(24)15-18/h2-15H,1H3,(H,25,28).
What are the key properties of 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one?
3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one has a molecular weight of 371.42 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1'-methylspiro[1H-quinazoline-4,2'-quinoline]-2-one is sourced from PubChem (CID 159791421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).