N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine

C26H21FN4O — CID 123278082

IUPACN-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3c(c2)C(Nc2ccccc2F)=NC(c2cccnc2)N3)c1
InChIInChI=1S/C26H21FN4O/c1-32-20-8-4-6-17(14-20)18-11-12-23-21(15-18)26(30-24-10-3-2-9-22(24)27)31-25(29-23)19-7-5-13-28-16-19/h2-16,25,29H,1H3,(H,30,31)
InChIKeyIUWKWHMKUPHXOF-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.88
Rot. Bonds4

About N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine

N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine (PubChem CID 123278082) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine
PubChem CID123278082
Molecular FormulaC26H21FN4O
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC NameN-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3c(c2)C(Nc2ccccc2F)=NC(c2cccnc2)N3)c1
InChIInChI=1S/C26H21FN4O/c1-32-20-8-4-6-17(14-20)18-11-12-23-21(15-18)26(30-24-10-3-2-9-22(24)27)31-25(29-23)19-7-5-13-28-16-19/h2-16,25,29H,1H3,(H,30,31)
InChIKeyIUWKWHMKUPHXOF-UHFFFAOYSA-N
XLogP5.88
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Dibenzo[c,f][2,7]naphthyridine, 12
CID 17754398
(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
6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3234753
8-(3-(2-Fluoropyridin-3-yl)phenyl)-8-(4-methoxyphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11633041
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
2-[3-(3-Methoxyphenyl)phenyl]-5-methyl-2-pyridin-4-ylimidazol-4-amine
CID 49858375
1-[(3-Methoxyphenyl)methyl]-3-(4-pyridin-4-ylphenyl)urea
CID 68521624
1-[4-(2-Amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68523303
3-(3-Methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392567
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine (CID 123278082) is N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine is COc1cccc(-c2ccc3c(c2)C(Nc2ccccc2F)=NC(c2cccnc2)N3)c1.
What is the InChIKey of N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine?
The InChIKey is IUWKWHMKUPHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O/c1-32-20-8-4-6-17(14-20)18-11-12-23-21(15-18)26(30-24-10-3-2-9-22(24)27)31-25(29-23)19-7-5-13-28-16-19/h2-16,25,29H,1H3,(H,30,31).
What are the key properties of N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine?
N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine has a molecular weight of 424.48 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 123278082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).