7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine

C20H14BrFN4 — CID 144501523

IUPAC7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3cccnc3)nc3cc(Br)ccc23)ccc1F
InChIInChI=1S/C20H14BrFN4/c1-12-9-15(5-7-17(12)22)24-20-16-6-4-14(21)10-18(16)25-19(26-20)13-3-2-8-23-11-13/h2-11H,1H3,(H,24,25,26)
InChIKeySLAKDQCFJRCSOZ-UHFFFAOYSA-N
MW409.26 g/mol
LogP5.65
Rot. Bonds3

About 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine

7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 144501523) has the molecular formula C20H14BrFN4 and a molecular weight of 409.26 g/mol. Its IUPAC name is 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID144501523
Molecular FormulaC20H14BrFN4
Molecular Weight409.26 g/mol
Exact Mass408.04
IUPAC Name7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3cccnc3)nc3cc(Br)ccc23)ccc1F
InChIInChI=1S/C20H14BrFN4/c1-12-9-15(5-7-17(12)22)24-20-16-6-4-14(21)10-18(16)25-19(26-20)13-3-2-8-23-11-13/h2-11H,1H3,(H,24,25,26)
InChIKeySLAKDQCFJRCSOZ-UHFFFAOYSA-N
XLogP5.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.26
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144500888
7-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180451
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180072
[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone
CID 144501047
N-(4-fluoro-3-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine
CID 144500782
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
7-chloro-N-(1H-indazol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 10292688
6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
CID 23909624
3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
CID 71181124
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 144501523) is 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine is Cc1cc(Nc2nc(-c3cccnc3)nc3cc(Br)ccc23)ccc1F.
What is the InChIKey of 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is SLAKDQCFJRCSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN4/c1-12-9-15(5-7-17(12)22)24-20-16-6-4-14(21)10-18(16)25-19(26-20)13-3-2-8-23-11-13/h2-11H,1H3,(H,24,25,26).
What are the key properties of 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 409.26 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 144501523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).