2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide

C26H26N6O2 — CID 163272413

IUPAC2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1-c1cccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12
InChIInChI=1S/C26H26N6O2/c1-27-24(33)20-9-5-4-8-18(20)19-10-6-7-16-14-28-26(31-23(16)19)30-22-13-17-15-32(2)12-11-21(17)29-25(22)34-3/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,33)(H,28,30,31)
InChIKeyURHBTZHTVULLGG-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.79
Rot. Bonds5

About 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide

2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide (PubChem CID 163272413) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
PubChem CID163272413
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1-c1cccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12
InChIInChI=1S/C26H26N6O2/c1-27-24(33)20-9-5-4-8-18(20)19-10-6-7-16-14-28-26(31-23(16)19)30-22-13-17-15-32(2)12-11-21(17)29-25(22)34-3/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,33)(H,28,30,31)
InChIKeyURHBTZHTVULLGG-UHFFFAOYSA-N
XLogP3.79
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
CID 163272407
2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
CID 167216952
8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 167049862
1-[(2S)-2-[[6-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 165172003
3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one
CID 165400728
3-[[5-chloro-4-(2-dimethylphosphanyloxy-4-fluorosulfonyloxyanilino)pyrimidin-2-yl]amino]-2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 170078380
5-chloro-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 178043944
N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide
CID 164626714
2-[[5-bromo-2-[[7-methoxy-3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 66830292
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 163291295
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-[2-(1,3-thiazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 170544460
4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 163291435

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide?
The IUPAC name of 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide (CID 163272413) is 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide.
What is the SMILES notation for 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide?
The canonical SMILES for 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide is CNC(=O)c1ccccc1-c1cccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12.
What is the InChIKey of 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide?
The InChIKey is URHBTZHTVULLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-27-24(33)20-9-5-4-8-18(20)19-10-6-7-16-14-28-26(31-23(16)19)30-22-13-17-15-32(2)12-11-21(17)29-25(22)34-3/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,33)(H,28,30,31).
What are the key properties of 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide?
2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide has a molecular weight of 454.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide is sourced from PubChem (CID 163272413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).