[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C25H19F2N3O2 — CID 86268209

IUPAC[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cccc2c1CCN(C(=O)c1nc(-c3ccc(F)cc3)nc3ccc(F)cc13)C2
InChIInChI=1S/C25H19F2N3O2/c1-32-22-4-2-3-16-14-30(12-11-19(16)22)25(31)23-20-13-18(27)9-10-21(20)28-24(29-23)15-5-7-17(26)8-6-15/h2-10,13H,11-12,14H2,1H3
InChIKeyQTALHIICINXGFJ-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.78
Rot. Bonds3

About [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 86268209) has the molecular formula C25H19F2N3O2 and a molecular weight of 431.44 g/mol. Its IUPAC name is [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID86268209
Molecular FormulaC25H19F2N3O2
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cccc2c1CCN(C(=O)c1nc(-c3ccc(F)cc3)nc3ccc(F)cc13)C2
InChIInChI=1S/C25H19F2N3O2/c1-32-22-4-2-3-16-14-30(12-11-19(16)22)25(31)23-20-13-18(27)9-10-21(20)28-24(29-23)15-5-7-17(26)8-6-15/h2-10,13H,11-12,14H2,1H3
InChIKeyQTALHIICINXGFJ-UHFFFAOYSA-N
XLogP4.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-8-methoxy-N-[[6-(trifluoromethyl)pyridin-2-yl]methyl]quinazoline-4-carboxamide
CID 122485352
2-(2,5-Dimethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3237504
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-o-tolylmethanone
CID 25002416
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 25002760
[4-(2,4-Diamino-quinazolin-5-yloxymethyl)-piperidin-1-yl]-(3,4-difluorophenyl)-methanone
CID 25002761
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 25002762
6-Methoxy-1-(2-methylquinazolin-4-yl)-2,3-dihydroquinolin-4-one
CID 76325552
4-(3-Fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554872
4-(2-Fluoro-4-methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554892
2-amino-N-[(6-fluoro-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444955
2-Methyl-7-[3-(4-quinolin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydroisoquinolin-1-one
CID 135339847

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 86268209) is [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1cccc2c1CCN(C(=O)c1nc(-c3ccc(F)cc3)nc3ccc(F)cc13)C2.
What is the InChIKey of [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is QTALHIICINXGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O2/c1-32-22-4-2-3-16-14-30(12-11-19(16)22)25(31)23-20-13-18(27)9-10-21(20)28-24(29-23)15-5-7-17(26)8-6-15/h2-10,13H,11-12,14H2,1H3.
What are the key properties of [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 431.44 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 86268209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).