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

C19H18BrN7O — CID 90258161

IUPAC2-[(4-bromo-6,8-dihydro-5H-1,7-naphthyridin-7-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCc4c(Br)ccnc4C3)nc21
InChIInChI=1S/C19H18BrN7O/c1-28-15-4-2-3-12-17(15)24-19(21)27-18(12)23-16(25-27)10-26-8-6-11-13(20)5-7-22-14(11)9-26/h2-5,7H,6,8-10H2,1H3,(H2,21,24)
InChIKeyOKFPMXKHUFMHGL-UHFFFAOYSA-N
MW440.31 g/mol
LogP2.58
Rot. Bonds3

About 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

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 (PubChem CID 90258161) has the molecular formula C19H18BrN7O and a molecular weight of 440.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(4-bromo-6,8-dihydro-5H-1,7-naphthyridin-7-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90258161
Molecular FormulaC19H18BrN7O
Molecular Weight440.31 g/mol
Exact Mass439.08
IUPAC Name2-[(4-bromo-6,8-dihydro-5H-1,7-naphthyridin-7-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCc4c(Br)ccnc4C3)nc21
InChIInChI=1S/C19H18BrN7O/c1-28-15-4-2-3-12-17(15)24-19(21)27-18(12)23-16(25-27)10-26-8-6-11-13(20)5-7-22-14(11)9-26/h2-5,7H,6,8-10H2,1H3,(H2,21,24)
InChIKeyOKFPMXKHUFMHGL-UHFFFAOYSA-N
XLogP2.58
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76900756
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
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
dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane
CID 159342248
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
7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258494
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc2c1nc(N)n1nc(CN3CCc4c(Br)ccnc4C3)nc21.
What is the InChIKey of 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?
The InChIKey is OKFPMXKHUFMHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7O/c1-28-15-4-2-3-12-17(15)24-19(21)27-18(12)23-16(25-27)10-26-8-6-11-13(20)5-7-22-14(11)9-26/h2-5,7H,6,8-10H2,1H3,(H2,21,24).
What are the key properties of 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?
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 has a molecular weight of 440.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90258161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).