5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C22H18Cl2N2O3 — CID 19747541

IUPAC5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(Cc1ccc2ccccc2c1)NC1CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C22H18Cl2N2O3/c23-15-9-16(24)21-17(10-15)25-19(22(28)29)11-18(21)26-20(27)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-10,18-19,25H,8,11H2,(H,26,27)(H,28,29)
InChIKeyNQJOSSRYVXDBSE-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.82
Rot. Bonds4

About 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 19747541) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID19747541
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(Cc1ccc2ccccc2c1)NC1CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C22H18Cl2N2O3/c23-15-9-16(24)21-17(10-15)25-19(22(28)29)11-18(21)26-20(27)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-10,18-19,25H,8,11H2,(H,26,27)(H,28,29)
InChIKeyNQJOSSRYVXDBSE-UHFFFAOYSA-N
XLogP4.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 19747541) is 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(Cc1ccc2ccccc2c1)NC1CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is NQJOSSRYVXDBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-15-9-16(24)21-17(10-15)25-19(22(28)29)11-18(21)26-20(27)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-10,18-19,25H,8,11H2,(H,26,27)(H,28,29).
What are the key properties of 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 429.30 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-[(2-naphthalen-2-ylacetyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 19747541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).