6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline

C24H23F2N3O — CID 123261659

IUPAC6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline
SMILESCOc1cc(-c2cc(F)cc(F)c2)cc2c1NC(c1cccnc1)=NC2CC(C)C
InChIInChI=1S/C24H23F2N3O/c1-14(2)7-21-20-10-17(16-8-18(25)12-19(26)9-16)11-22(30-3)23(20)29-24(28-21)15-5-4-6-27-13-15/h4-6,8-14,21H,7H2,1-3H3,(H,28,29)
InChIKeyPAFSTDILTRAPKJ-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.99
Rot. Bonds5

About 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline

6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline (PubChem CID 123261659) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline
PubChem CID123261659
Molecular FormulaC24H23F2N3O
Molecular Weight407.46 g/mol
Exact Mass407.18
IUPAC Name6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline
SMILESCOc1cc(-c2cc(F)cc(F)c2)cc2c1NC(c1cccnc1)=NC2CC(C)C
InChIInChI=1S/C24H23F2N3O/c1-14(2)7-21-20-10-17(16-8-18(25)12-19(26)9-16)11-22(30-3)23(20)29-24(28-21)15-5-4-6-27-13-15/h4-6,8-14,21H,7H2,1-3H3,(H,28,29)
InChIKeyPAFSTDILTRAPKJ-UHFFFAOYSA-N
XLogP5.99
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline with MolForge

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Related Compounds

(8s)-3,3-Difluoro-8-(2'-Fluoro-3'-Methoxybiphenyl-3-Yl)-8-Pyridin-4-Yl-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
CID 90656184
5-[[3-fluoro-2-(fluoromethyl)-8-methoxy-2,4-dimethyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine
CID 44301059
3,3-Difluoro-8-(2'-fluoro-5'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873277
3,3-Difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873279
8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24989869
5-[[2,4-bis(fluoromethyl)-8-methoxy-2-methyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine
CID 44301099
(8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 57394835
8-methoxy-4-methyl-6-pyridin-2-yl-1H-quinolin-2-one
CID 13728851
8-methoxy-4-methyl-6-pyridin-4-yl-1H-quinolin-2-one
CID 13734458
N-(2-methoxyphenyl)-6-(trifluoromethyl)quinolin-4-amine
CID 52092879
8-methoxy-4-methyl-6-pyridin-3-yl-1H-quinolin-2-one
CID 13728859
N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
CID 71661921

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline?
The IUPAC name of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline (CID 123261659) is 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline.
What is the SMILES notation for 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline?
The canonical SMILES for 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline is COc1cc(-c2cc(F)cc(F)c2)cc2c1NC(c1cccnc1)=NC2CC(C)C.
What is the InChIKey of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline?
The InChIKey is PAFSTDILTRAPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O/c1-14(2)7-21-20-10-17(16-8-18(25)12-19(26)9-16)11-22(30-3)23(20)29-24(28-21)15-5-4-6-27-13-15/h4-6,8-14,21H,7H2,1-3H3,(H,28,29).
What are the key properties of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline?
6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline has a molecular weight of 407.46 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-yl-1,4-dihydroquinazoline is sourced from PubChem (CID 123261659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).