N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C26H24ClN7O2 — CID 44187007

IUPACN-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESC1COCCN1CCOC2=CC(=C(C=C2)NC3=C4C=CN=CC4=C5C=CC=C(C5=N3)C6=NC=NN6)Cl
InChIInChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33)
InChIKeySHYCQJRIHDQKDV-UHFFFAOYSA-N
MW502.00 g/mol
LogP4.20
Rot. Bonds7

About N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 44187007) has the molecular formula C26H24ClN7O2 and a molecular weight of 502.00 g/mol. Its IUPAC name is N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID44187007
Molecular FormulaC26H24ClN7O2
Molecular Weight502.00 g/mol
Exact Mass501.17
IUPAC NameN-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESC1COCCN1CCOC2=CC(=C(C=C2)NC3=C4C=CN=CC4=C5C=CC=C(C5=N3)C6=NC=NN6)Cl
InChIInChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33)
InChIKeySHYCQJRIHDQKDV-UHFFFAOYSA-N
XLogP4.20
TPSA101.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity701

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.00
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[[7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]amino]phenol
CID 136042193
N-(2-chloro-3-methoxyphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57397435
N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222969
N-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222977
N-[2-chloro-4-(trifluoromethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57393824
N-(2-methoxyphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57395547
N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400855
N-(2-fluoro-6-methoxyphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57397436
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)quinazolin-4-amine
CID 145959045
5-chloro-2-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrimidine-2,4-diamine
CID 168269307
N-[2-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-8-methyl-9-(2-methylphenyl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68059798
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 177378331

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 44187007) is N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is C1COCCN1CCOC2=CC(=C(C=C2)NC3=C4C=CN=CC4=C5C=CC=C(C5=N3)C6=NC=NN6)Cl.
What is the InChIKey of N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is SHYCQJRIHDQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33).
What are the key properties of N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 502.00 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 44187007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).