5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C21H16Cl2N2O3 — CID 19747384

IUPAC5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1
InChIInChI=1S/C21H16Cl2N2O3/c22-14-8-15(23)19-16(9-14)24-18(21(27)28)10-17(19)25-20(26)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,17-18,24H,10H2,(H,25,26)(H,27,28)
InChIKeySZIULTCUKDLKIH-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.89
Rot. Bonds3

About 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 19747384) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID19747384
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1
InChIInChI=1S/C21H16Cl2N2O3/c22-14-8-15(23)19-16(9-14)24-18(21(27)28)10-17(19)25-20(26)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,17-18,24H,10H2,(H,25,26)(H,27,28)
InChIKeySZIULTCUKDLKIH-UHFFFAOYSA-N
XLogP4.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.89
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-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 19747384) is 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(NC1CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1.
What is the InChIKey of 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is SZIULTCUKDLKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c22-14-8-15(23)19-16(9-14)24-18(21(27)28)10-17(19)25-20(26)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,17-18,24H,10H2,(H,25,26)(H,27,28).
What are the key properties of 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 415.28 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-(naphthalene-2-carbonylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 19747384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).