ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate

C20H15ClN2O2 — CID 11131891

IUPACethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)c(-c1ccc(Cl)cc1)nc1ccccc12
InChIInChI=1S/C20H15ClN2O2/c1-2-25-20(24)17-11-15-14-5-3-4-6-16(14)22-18(19(15)23-17)12-7-9-13(21)10-8-12/h3-11,23H,2H2,1H3
InChIKeyCTNWWWHRFUKDQU-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.21
Rot. Bonds3

About ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate

ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate (PubChem CID 11131891) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
PubChem CID11131891
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Nameethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)c(-c1ccc(Cl)cc1)nc1ccccc12
InChIInChI=1S/C20H15ClN2O2/c1-2-25-20(24)17-11-15-14-5-3-4-6-16(14)22-18(19(15)23-17)12-7-9-13(21)10-8-12/h3-11,23H,2H2,1H3
InChIKeyCTNWWWHRFUKDQU-UHFFFAOYSA-N
XLogP5.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
CID 136880016
ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
CID 171663092
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
diethyl 3-(4-chlorophenyl)naphtho[2,3-f]quinoline-1,2-dicarboxylate
CID 139217700
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 4-chloro-7-phenylmethoxy-1H-indole-2-carboxylate
CID 21194186
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
CID 69142158

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate (CID 11131891) is ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate is CCOC(=O)c1cc2c([nH]1)c(-c1ccc(Cl)cc1)nc1ccccc12.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
The InChIKey is CTNWWWHRFUKDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c1-2-25-20(24)17-11-15-14-5-3-4-6-16(14)22-18(19(15)23-17)12-7-9-13(21)10-8-12/h3-11,23H,2H2,1H3.
What are the key properties of ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate has a molecular weight of 350.81 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate is sourced from PubChem (CID 11131891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).