8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

C25H24FN5O2 — CID 163272372

IUPAC8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1cccc(F)c1-c1cccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12
InChIInChI=1S/C25H24FN5O2/c1-31-11-10-19-16(14-31)12-20(24(28-19)33-3)29-25-27-13-15-6-4-7-17(23(15)30-25)22-18(26)8-5-9-21(22)32-2/h4-9,12-13H,10-11,14H2,1-3H3,(H,27,29,30)
InChIKeyUPAXUOFFQJCGKM-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.58
Rot. Bonds5

About 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine (PubChem CID 163272372) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
PubChem CID163272372
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1cccc(F)c1-c1cccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12
InChIInChI=1S/C25H24FN5O2/c1-31-11-10-19-16(14-31)12-20(24(28-19)33-3)29-25-27-13-15-6-4-7-17(23(15)30-25)22-18(26)8-5-9-21(22)32-2/h4-9,12-13H,10-11,14H2,1-3H3,(H,27,29,30)
InChIKeyUPAXUOFFQJCGKM-UHFFFAOYSA-N
XLogP4.58
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The IUPAC name of 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine (CID 163272372) is 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The canonical SMILES for 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is COc1cccc(F)c1-c1cccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12.
What is the InChIKey of 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The InChIKey is UPAXUOFFQJCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-31-11-10-19-16(14-31)12-20(24(28-19)33-3)29-25-27-13-15-6-4-7-17(23(15)30-25)22-18(26)8-5-9-21(22)32-2/h4-9,12-13H,10-11,14H2,1-3H3,(H,27,29,30).
What are the key properties of 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine has a molecular weight of 445.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-6-methoxyphenyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is sourced from PubChem (CID 163272372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).