4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid

C19H12ClN3O4 — CID 171406102

IUPAC4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1cc(C(=O)O)[nH]c12
InChIInChI=1S/C19H12ClN3O4/c20-10-2-4-11(5-3-10)21-17-13-8-15(19(26)27)22-16(13)12-6-1-9(18(24)25)7-14(12)23-17/h1-8,22H,(H,21,23)(H,24,25)(H,26,27)
InChIKeyCHHZZTKMQBURND-UHFFFAOYSA-N
MW381.78 g/mol
LogP4.51
Rot. Bonds4

About 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid

4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid (PubChem CID 171406102) has the molecular formula C19H12ClN3O4 and a molecular weight of 381.78 g/mol. Its IUPAC name is 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid
PubChem CID171406102
Molecular FormulaC19H12ClN3O4
Molecular Weight381.78 g/mol
Exact Mass381.05
IUPAC Name4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1cc(C(=O)O)[nH]c12
InChIInChI=1S/C19H12ClN3O4/c20-10-2-4-11(5-3-10)21-17-13-8-15(19(26)27)22-16(13)12-6-1-9(18(24)25)7-14(12)23-17/h1-8,22H,(H,21,23)(H,24,25)(H,26,27)
InChIKeyCHHZZTKMQBURND-UHFFFAOYSA-N
XLogP4.51
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid?
The IUPAC name of 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid (CID 171406102) is 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid.
What is the SMILES notation for 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid?
The canonical SMILES for 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1cc(C(=O)O)[nH]c12.
What is the InChIKey of 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid?
The InChIKey is CHHZZTKMQBURND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O4/c20-10-2-4-11(5-3-10)21-17-13-8-15(19(26)27)22-16(13)12-6-1-9(18(24)25)7-14(12)23-17/h1-8,22H,(H,21,23)(H,24,25)(H,26,27).
What are the key properties of 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid?
4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid has a molecular weight of 381.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid is sourced from PubChem (CID 171406102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).