N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide

C33H24N6O — CID 59473013

IUPACN-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide
SMILESCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)c5cnc6ccccc6c5)cc4)nc3ccn12
InChIInChI=1S/C33H24N6O/c1-21-37-38-32-28-18-27(23-7-3-2-4-8-23)31(36-30(28)15-16-39(21)32)24-13-11-22(12-14-24)19-35-33(40)26-17-25-9-5-6-10-29(25)34-20-26/h2-18,20H,19H2,1H3,(H,35,40)
InChIKeyKJJHYDPYRHHCDN-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.40
Rot. Bonds5

About N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide

N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide (PubChem CID 59473013) has the molecular formula C33H24N6O and a molecular weight of 520.60 g/mol. Its IUPAC name is N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide
PubChem CID59473013
Molecular FormulaC33H24N6O
Molecular Weight520.60 g/mol
Exact Mass520.20
IUPAC NameN-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide
SMILESCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)c5cnc6ccccc6c5)cc4)nc3ccn12
InChIInChI=1S/C33H24N6O/c1-21-37-38-32-28-18-27(23-7-3-2-4-8-23)31(36-30(28)15-16-39(21)32)24-13-11-22(12-14-24)19-35-33(40)26-17-25-9-5-6-10-29(25)34-20-26/h2-18,20H,19H2,1H3,(H,35,40)
InChIKeyKJJHYDPYRHHCDN-UHFFFAOYSA-N
XLogP6.40
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide
CID 59473048
4-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methylamino]-4-oxobutanoic acid
CID 89454429
2-(2,3-dihydroxyphenyl)-2-methyl-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]propanamide
CID 89454732
[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 141180044
[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980361
[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980490
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472965
N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide
CID 59473022
N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine
CID 143370884

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide?
The IUPAC name of N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide (CID 59473013) is N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide?
The canonical SMILES for N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide is Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)c5cnc6ccccc6c5)cc4)nc3ccn12.
What is the InChIKey of N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide?
The InChIKey is KJJHYDPYRHHCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6O/c1-21-37-38-32-28-18-27(23-7-3-2-4-8-23)31(36-30(28)15-16-39(21)32)24-13-11-22(12-14-24)19-35-33(40)26-17-25-9-5-6-10-29(25)34-20-26/h2-18,20H,19H2,1H3,(H,35,40).
What are the key properties of N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide?
N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide has a molecular weight of 520.60 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 59473013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).