6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline

C24H21F2N3O — CID 71181074

IUPAC6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cc(-c2cc(F)cc(F)c2)cc2c(CC(C)C)nc(-c3cccnc3)nc12
InChIInChI=1S/C24H21F2N3O/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/h4-6,8-14H,7H2,1-3H3
InChIKeyKKJJCUBTQVDAGT-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.84
Rot. Bonds5

About 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline

6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline (PubChem CID 71181074) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline
PubChem CID71181074
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cc(-c2cc(F)cc(F)c2)cc2c(CC(C)C)nc(-c3cccnc3)nc12
InChIInChI=1S/C24H21F2N3O/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/h4-6,8-14H,7H2,1-3H3
InChIKeyKKJJCUBTQVDAGT-UHFFFAOYSA-N
XLogP5.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline (CID 71181074) is 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline is COc1cc(-c2cc(F)cc(F)c2)cc2c(CC(C)C)nc(-c3cccnc3)nc12.
What is the InChIKey of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline?
The InChIKey is KKJJCUBTQVDAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O/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/h4-6,8-14H,7H2,1-3H3.
What are the key properties of 6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline?
6-(3,5-difluorophenyl)-8-methoxy-4-(2-methylpropyl)-2-pyridin-3-ylquinazoline has a molecular weight of 405.45 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 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-ylquinazoline is sourced from PubChem (CID 71181074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).