8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

C24H27N7O — CID 163272407

IUPAC8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCCOc1nc2c(cc1Nc1ncc3cccc(-c4cnn(C)c4C)c3n1)CN(C)CC2
InChIInChI=1S/C24H27N7O/c1-5-32-23-21(11-17-14-30(3)10-9-20(17)27-23)28-24-25-12-16-7-6-8-18(22(16)29-24)19-13-26-31(4)15(19)2/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,25,28,29)
InChIKeyOQNZNYBLUHCMOT-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.86
Rot. Bonds5

About 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine (PubChem CID 163272407) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
PubChem CID163272407
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCCOc1nc2c(cc1Nc1ncc3cccc(-c4cnn(C)c4C)c3n1)CN(C)CC2
InChIInChI=1S/C24H27N7O/c1-5-32-23-21(11-17-14-30(3)10-9-20(17)27-23)28-24-25-12-16-7-6-8-18(22(16)29-24)19-13-26-31(4)15(19)2/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,25,28,29)
InChIKeyOQNZNYBLUHCMOT-UHFFFAOYSA-N
XLogP3.86
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
CID 163272413
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
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
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
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-[[5-chloro-4-(2-dimethylphosphanyloxy-4-fluorosulfonyloxyanilino)pyrimidin-2-yl]amino]-2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 170078380
2-(methylamino)-6-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]benzaldehyde
CID 138463164
6-[(3-ethoxyphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960622
2-(cyclopropylmethoxy)-3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
CID 138580604
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-[3-(4-methylpiperazin-1-yl)phenyl]-8-(1-methylsulfonylpyrazol-4-yl)quinazolin-2-amine;molecular hydrogen
CID 145226282
3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167049791

Frequently Asked Questions

What is the IUPAC name of 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The IUPAC name of 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) is 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The canonical SMILES for 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is CCOc1nc2c(cc1Nc1ncc3cccc(-c4cnn(C)c4C)c3n1)CN(C)CC2.
What is the InChIKey of 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The InChIKey is OQNZNYBLUHCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-5-32-23-21(11-17-14-30(3)10-9-20(17)27-23)28-24-25-12-16-7-6-8-18(22(16)29-24)19-13-26-31(4)15(19)2/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,25,28,29).
What are the key properties of 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine has a molecular weight of 429.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is sourced from PubChem (CID 163272407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).