6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one

C27H29ClN6O — CID 137438852

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(NCCN4CCN(C)CC4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C27H29ClN6O/c1-18-14-20(15-24(28)31-18)21-16-22-26(35)23(29-8-9-34-12-10-33(2)11-13-34)17-30-27(22)32-25(21)19-6-4-3-5-7-19/h3-7,14-17,29H,8-13H2,1-2H3,(H,30,32,35)
InChIKeyQOTFQXWPVZHYDS-UHFFFAOYSA-N
MW489.02 g/mol
LogP4.27
Rot. Bonds6

About 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438852) has the molecular formula C27H29ClN6O and a molecular weight of 489.02 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438852
Molecular FormulaC27H29ClN6O
Molecular Weight489.02 g/mol
Exact Mass488.21
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(NCCN4CCN(C)CC4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C27H29ClN6O/c1-18-14-20(15-24(28)31-18)21-16-22-26(35)23(29-8-9-34-12-10-33(2)11-13-34)17-30-27(22)32-25(21)19-6-4-3-5-7-19/h3-7,14-17,29H,8-13H2,1-2H3,(H,30,32,35)
InChIKeyQOTFQXWPVZHYDS-UHFFFAOYSA-N
XLogP4.27
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438852) is 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)c(NCCN4CCN(C)CC4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is QOTFQXWPVZHYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O/c1-18-14-20(15-24(28)31-18)21-16-22-26(35)23(29-8-9-34-12-10-33(2)11-13-34)17-30-27(22)32-25(21)19-6-4-3-5-7-19/h3-7,14-17,29H,8-13H2,1-2H3,(H,30,32,35).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 489.02 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-3-[2-(4-methylpiperazin-1-yl)ethylamino]-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).