2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid

C30H22Cl2N2O4 — CID 10347386

IUPAC2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
SMILESCOc1ccc2ccccc2c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)ccc2n1
InChIInChI=1S/C30H22Cl2N2O4/c1-38-26-14-11-18-5-2-3-6-20(18)27(26)24-13-10-19-15-17(9-12-23(19)33-24)16-25(30(36)37)34-29(35)28-21(31)7-4-8-22(28)32/h2-15,25H,16H2,1H3,(H,34,35)(H,36,37)
InChIKeyPOYXPYSTVWGLAA-UHFFFAOYSA-N
MW545.42 g/mol
LogP6.80
Rot. Bonds7

About 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid

2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid (PubChem CID 10347386) has the molecular formula C30H22Cl2N2O4 and a molecular weight of 545.42 g/mol. Its IUPAC name is 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
PubChem CID10347386
Molecular FormulaC30H22Cl2N2O4
Molecular Weight545.42 g/mol
Exact Mass544.10
IUPAC Name2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
SMILESCOc1ccc2ccccc2c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)ccc2n1
InChIInChI=1S/C30H22Cl2N2O4/c1-38-26-14-11-18-5-2-3-6-20(18)27(26)24-13-10-19-15-17(9-12-23(19)33-24)16-25(30(36)37)34-29(35)28-21(31)7-4-8-22(28)32/h2-15,25H,16H2,1H3,(H,34,35)(H,36,37)
InChIKeyPOYXPYSTVWGLAA-UHFFFAOYSA-N
XLogP6.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.42
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid 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 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
The IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid (CID 10347386) is 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid.
What is the SMILES notation for 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
The canonical SMILES for 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid is COc1ccc2ccccc2c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)ccc2n1.
What is the InChIKey of 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
The InChIKey is POYXPYSTVWGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2N2O4/c1-38-26-14-11-18-5-2-3-6-20(18)27(26)24-13-10-19-15-17(9-12-23(19)33-24)16-25(30(36)37)34-29(35)28-21(31)7-4-8-22(28)32/h2-15,25H,16H2,1H3,(H,34,35)(H,36,37).
What are the key properties of 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid has a molecular weight of 545.42 g/mol, XLogP of 6.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid is sourced from PubChem (CID 10347386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).