N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C21H15ClN6 — CID 57400790

IUPACN-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCN(c1ccccc1Cl)c1nc2c(-c3ncn[nH]3)cccc2c2cnccc12
InChIInChI=1S/C21H15ClN6/c1-28(18-8-3-2-7-17(18)22)21-14-9-10-23-11-16(14)13-5-4-6-15(19(13)26-21)20-24-12-25-27-20/h2-12H,1H3,(H,24,25,27)
InChIKeyLHJWKHNEQQVHNI-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.99
Rot. Bonds3

About N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 57400790) has the molecular formula C21H15ClN6 and a molecular weight of 386.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID57400790
Molecular FormulaC21H15ClN6
Molecular Weight386.85 g/mol
Exact Mass386.10
IUPAC NameN-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCN(c1ccccc1Cl)c1nc2c(-c3ncn[nH]3)cccc2c2cnccc12
InChIInChI=1S/C21H15ClN6/c1-28(18-8-3-2-7-17(18)22)21-14-9-10-23-11-16(14)13-5-4-6-15(19(13)26-21)20-24-12-25-27-20/h2-12H,1H3,(H,24,25,27)
InChIKeyLHJWKHNEQQVHNI-UHFFFAOYSA-N
XLogP4.99
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 57400790) is N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is CN(c1ccccc1Cl)c1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.
What is the InChIKey of N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is LHJWKHNEQQVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6/c1-28(18-8-3-2-7-17(18)22)21-14-9-10-23-11-16(14)13-5-4-6-15(19(13)26-21)20-24-12-25-27-20/h2-12H,1H3,(H,24,25,27).
What are the key properties of N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 386.85 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 57400790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).