4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine

C25H24FN5 — CID 132559991

IUPAC4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(F)cc3C)c3ccccc3n2)c2c(n1)CCCC2
InChIInChI=1S/C25H24FN5/c1-15-13-17(26)11-12-20(15)28-24-19-8-4-6-10-22(19)29-25(31-24)30-23-14-16(2)27-21-9-5-3-7-18(21)23/h4,6,8,10-14H,3,5,7,9H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyHSTRZDUNYOFMFR-UHFFFAOYSA-N
MW413.50 g/mol
LogP6.15
Rot. Bonds4

About 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine

4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine (PubChem CID 132559991) has the molecular formula C25H24FN5 and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine
PubChem CID132559991
Molecular FormulaC25H24FN5
Molecular Weight413.50 g/mol
Exact Mass413.20
IUPAC Name4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(F)cc3C)c3ccccc3n2)c2c(n1)CCCC2
InChIInChI=1S/C25H24FN5/c1-15-13-17(26)11-12-20(15)28-24-19-8-4-6-10-22(19)29-25(31-24)30-23-14-16(2)27-21-9-5-3-7-18(21)23/h4,6,8,10-14H,3,5,7,9H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyHSTRZDUNYOFMFR-UHFFFAOYSA-N
XLogP6.15
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine (CID 132559991) is 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc(F)cc3C)c3ccccc3n2)c2c(n1)CCCC2.
What is the InChIKey of 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine?
The InChIKey is HSTRZDUNYOFMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5/c1-15-13-17(26)11-12-20(15)28-24-19-8-4-6-10-22(19)29-25(31-24)30-23-14-16(2)27-21-9-5-3-7-18(21)23/h4,6,8,10-14H,3,5,7,9H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine?
4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine has a molecular weight of 413.50 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methylphenyl)-2-N-(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 132559991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).