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

C26H27N5O2 — CID 163272400

IUPACN-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine
SMILESCCOc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4OC)c3n1)CN(C)CC2
InChIInChI=1S/C26H27N5O2/c1-4-33-25-22(14-18-16-31(2)13-12-21(18)28-25)29-26-27-15-17-8-7-10-20(24(17)30-26)19-9-5-6-11-23(19)32-3/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,27,29,30)
InChIKeyGGDLLOBRAPGDTJ-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.83
Rot. Bonds6

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

N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine (PubChem CID 163272400) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine
PubChem CID163272400
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine
SMILESCCOc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4OC)c3n1)CN(C)CC2
InChIInChI=1S/C26H27N5O2/c1-4-33-25-22(14-18-16-31(2)13-12-21(18)28-25)29-26-27-15-17-8-7-10-20(24(17)30-26)19-9-5-6-11-23(19)32-3/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,27,29,30)
InChIKeyGGDLLOBRAPGDTJ-UHFFFAOYSA-N
XLogP4.83
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
The IUPAC name of N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine (CID 163272400) is N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
The canonical SMILES for N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine is CCOc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4OC)c3n1)CN(C)CC2.
What is the InChIKey of N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
The InChIKey is GGDLLOBRAPGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-4-33-25-22(14-18-16-31(2)13-12-21(18)28-25)29-26-27-15-17-8-7-10-20(24(17)30-26)19-9-5-6-11-23(19)32-3/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,27,29,30).
What are the key properties of N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine?
N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine has a molecular weight of 441.54 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(2-methoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 163272400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).