5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine

C27H21FN4O — CID 142794239

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(-c4cccnc4-c4ccc(F)c(C)c4)cccc3n2)cc1
InChIInChI=1S/C27H21FN4O/c1-16-15-18(10-13-22(16)28)25-21(6-4-14-30-25)20-5-3-7-23-24(20)26(29)32-27(31-23)17-8-11-19(33-2)12-9-17/h3-15H,1-2H3,(H2,29,31,32)
InChIKeyNNYXORKZMDXEIK-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.06
Rot. Bonds4

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 142794239) has the molecular formula C27H21FN4O and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID142794239
Molecular FormulaC27H21FN4O
Molecular Weight436.49 g/mol
Exact Mass436.17
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(-c4cccnc4-c4ccc(F)c(C)c4)cccc3n2)cc1
InChIInChI=1S/C27H21FN4O/c1-16-15-18(10-13-22(16)28)25-21(6-4-14-30-25)20-5-3-7-23-24(20)26(29)32-27(31-23)17-8-11-19(33-2)12-9-17/h3-15H,1-2H3,(H2,29,31,32)
InChIKeyNNYXORKZMDXEIK-UHFFFAOYSA-N
XLogP6.06
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Evp4593
CID 509554
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
Vuf5574
CID 4046493
2-Aminoquinazoline 6
CID 5330305
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
2-Aminoquinazoline 18
CID 5330316
2-Aminoquinazoline 21
CID 5330319
Dibenzo[c,f][2,7]naphthyridine, 12
CID 17754398
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-7-yloxy)pyrimidin-4-amine
CID 23646046
N2-(2-Methoxyphenethyl)-N4-methyl-N6-(quinolin-6-yl)-1,3,5-triazine-2,4,6-triamine
CID 24767924

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine (CID 142794239) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(N)c3c(-c4cccnc4-c4ccc(F)c(C)c4)cccc3n2)cc1.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is NNYXORKZMDXEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O/c1-16-15-18(10-13-22(16)28)25-21(6-4-14-30-25)20-5-3-7-23-24(20)26(29)32-27(31-23)17-8-11-19(33-2)12-9-17/h3-15H,1-2H3,(H2,29,31,32).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 436.49 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 142794239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).