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

C44H36ClN13O — CID 91308444

IUPACN-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1.Clc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12
InChIInChI=1S/C24H23N7O.C20H13ClN6/c1-31(2)12-13-32-17-8-6-16(7-9-17)28-24-19-10-11-25-14-21(19)18-4-3-5-20(22(18)29-24)23-26-15-27-30-23;21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h3-11,14-15H,12-13H2,1-2H3,(H,28,29)(H,26,27,30);1-11H,(H,25,26)(H,23,24,27)
InChIKeyQHBLWMFIDNHBNR-UHFFFAOYSA-N
MW798.32 g/mol
LogP9.22
Rot. Bonds10

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

N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 91308444) has the molecular formula C44H36ClN13O and a molecular weight of 798.32 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID91308444
Molecular FormulaC44H36ClN13O
Molecular Weight798.32 g/mol
Exact Mass797.29
IUPAC NameN-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1.Clc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12
InChIInChI=1S/C24H23N7O.C20H13ClN6/c1-31(2)12-13-32-17-8-6-16(7-9-17)28-24-19-10-11-25-14-21(19)18-4-3-5-20(22(18)29-24)23-26-15-27-30-23;21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h3-11,14-15H,12-13H2,1-2H3,(H,28,29)(H,26,27,30);1-11H,(H,25,26)(H,23,24,27)
InChIKeyQHBLWMFIDNHBNR-UHFFFAOYSA-N
XLogP9.22
TPSA171.23 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.32
LogP ≤ 59.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-(2-piperidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 161231637
N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;N-(2-chlorophenyl)-7-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]benzo[c][2,6]naphthyridin-5-amine;bis(N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzo[c][2,6]naphthyridin-5-amine)
CID 157288603
N-[2-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[2,3-c]quinolin-4-amine
CID 58189554
N,N-dimethyl-2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
CID 22479784
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine
CID 56592560
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride
CID 69326352
4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine
CID 146184524
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 16722731
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 91308444) is N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is CN(C)CCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1.Clc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12.
What is the InChIKey of N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is QHBLWMFIDNHBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O.C20H13ClN6/c1-31(2)12-13-32-17-8-6-16(7-9-17)28-24-19-10-11-25-14-21(19)18-4-3-5-20(22(18)29-24)23-26-15-27-30-23;21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h3-11,14-15H,12-13H2,1-2H3,(H,28,29)(H,26,27,30);1-11H,(H,25,26)(H,23,24,27).
What are the key properties of N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 798.32 g/mol, XLogP of 9.22, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine;N-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 91308444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).