N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide

C31H24Cl2N4O3 — CID 177374703

IUPACN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1cc2c(-c3ccccc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C31H24Cl2N4O3/c1-4-27(38)36-22-13-9-8-12-21(22)35-26-15-20-19(17-34-26)14-23(37-31(20)18-10-6-5-7-11-18)28-29(32)24(39-2)16-25(40-3)30(28)33/h4-17H,1H2,2-3H3,(H,34,35)(H,36,38)
InChIKeyPHROOOQUMUVQDS-UHFFFAOYSA-N
MW571.46 g/mol
LogP8.16
Rot. Bonds8

About N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide

N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide (PubChem CID 177374703) has the molecular formula C31H24Cl2N4O3 and a molecular weight of 571.46 g/mol. Its IUPAC name is N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
PubChem CID177374703
Molecular FormulaC31H24Cl2N4O3
Molecular Weight571.46 g/mol
Exact Mass570.12
IUPAC NameN-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1cc2c(-c3ccccc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C31H24Cl2N4O3/c1-4-27(38)36-22-13-9-8-12-21(22)35-26-15-20-19(17-34-26)14-23(37-31(20)18-10-6-5-7-11-18)28-29(32)24(39-2)16-25(40-3)30(28)33/h4-17H,1H2,2-3H3,(H,34,35)(H,36,38)
InChIKeyPHROOOQUMUVQDS-UHFFFAOYSA-N
XLogP8.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.46
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide 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 N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide (CID 177374703) is N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1Nc1cc2c(-c3ccccc3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.
What is the InChIKey of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
The InChIKey is PHROOOQUMUVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl2N4O3/c1-4-27(38)36-22-13-9-8-12-21(22)35-26-15-20-19(17-34-26)14-23(37-31(20)18-10-6-5-7-11-18)28-29(32)24(39-2)16-25(40-3)30(28)33/h4-17H,1H2,2-3H3,(H,34,35)(H,36,38).
What are the key properties of N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide?
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide has a molecular weight of 571.46 g/mol, XLogP of 8.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-phenyl-2,6-naphthyridin-3-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 177374703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).