2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C19H19N7O — CID 76900756

IUPAC2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCc4ccncc4C3)nc21
InChIInChI=1S/C19H19N7O/c1-27-15-4-2-3-14-17(15)23-19(20)26-18(14)22-16(24-26)11-25-8-6-12-5-7-21-9-13(12)10-25/h2-5,7,9H,6,8,10-11H2,1H3,(H2,20,23)
InChIKeyVVBDVMCLJVQBTO-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.82
Rot. Bonds3

About 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 76900756) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID76900756
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCc4ccncc4C3)nc21
InChIInChI=1S/C19H19N7O/c1-27-15-4-2-3-14-17(15)23-19(20)26-18(14)22-16(24-26)11-25-8-6-12-5-7-21-9-13(12)10-25/h2-5,7,9H,6,8,10-11H2,1H3,(H2,20,23)
InChIKeyVVBDVMCLJVQBTO-UHFFFAOYSA-N
XLogP1.82
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901136
2-[(4-bromo-6,8-dihydro-5H-1,7-naphthyridin-7-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258161
7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90268021
7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285900
7-methoxy-2-[2-[7-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258252
2-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;ethane
CID 144656842
2-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90257978
2-[[4-(4-fluorophenyl)-3,5-dimethylpiperazin-1-yl]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 123373427
2-[2-(2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901504
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
CID 162684779
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
2-[[5,5-dimethyl-3-(trifluoromethyl)-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90257925

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 76900756) is 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CN3CCc4ccncc4C3)nc21.
What is the InChIKey of 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is VVBDVMCLJVQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-27-15-4-2-3-14-17(15)23-19(20)26-18(14)22-16(24-26)11-25-8-6-12-5-7-21-9-13(12)10-25/h2-5,7,9H,6,8,10-11H2,1H3,(H2,20,23).
What are the key properties of 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 361.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 76900756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).