4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide

C24H23ClN4O2S — CID 58189588

IUPAC4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccc2c1nc(Nc1ccccc1Cl)c1sccc12
InChIInChI=1S/C24H23ClN4O2S/c25-19-6-1-2-7-20(19)27-23-22-17(8-15-32-22)16-4-3-5-18(21(16)28-23)24(30)26-9-10-29-11-13-31-14-12-29/h1-8,15H,9-14H2,(H,26,30)(H,27,28)
InChIKeyIFDMEQNOXBUMSM-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.91
Rot. Bonds6

About 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide

4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide (PubChem CID 58189588) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide
PubChem CID58189588
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccc2c1nc(Nc1ccccc1Cl)c1sccc12
InChIInChI=1S/C24H23ClN4O2S/c25-19-6-1-2-7-20(19)27-23-22-17(8-15-32-22)16-4-3-5-18(21(16)28-23)24(30)26-9-10-29-11-13-31-14-12-29/h1-8,15H,9-14H2,(H,26,30)(H,27,28)
InChIKeyIFDMEQNOXBUMSM-UHFFFAOYSA-N
XLogP4.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301626
3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid
CID 102280735
4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide
CID 51037077
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2-chlorobenzamide
CID 113053679
N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride
CID 140822101
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide?
The IUPAC name of 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide (CID 58189588) is 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide is O=C(NCCN1CCOCC1)c1cccc2c1nc(Nc1ccccc1Cl)c1sccc12.
What is the InChIKey of 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide?
The InChIKey is IFDMEQNOXBUMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c25-19-6-1-2-7-20(19)27-23-22-17(8-15-32-22)16-4-3-5-18(21(16)28-23)24(30)26-9-10-29-11-13-31-14-12-29/h1-8,15H,9-14H2,(H,26,30)(H,27,28).
What are the key properties of 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide?
4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide has a molecular weight of 466.99 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide is sourced from PubChem (CID 58189588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).