4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

C20H15ClN2O3S — CID 12004946

IUPAC4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1OC
InChIInChI=1S/C20H15ClN2O3S/c1-25-15-8-7-11(9-16(15)26-2)22-20(24)17-10-13-18(27-17)12-5-3-4-6-14(12)23-19(13)21/h3-10H,1-2H3,(H,22,24)
InChIKeyRQGBASQSCCTIKS-UHFFFAOYSA-N
MW398.87 g/mol
LogP5.37
Rot. Bonds4

About 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 12004946) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID12004946
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC Name4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1OC
InChIInChI=1S/C20H15ClN2O3S/c1-25-15-8-7-11(9-16(15)26-2)22-20(24)17-10-13-18(27-17)12-5-3-4-6-14(12)23-19(13)21/h3-10H,1-2H3,(H,22,24)
InChIKeyRQGBASQSCCTIKS-UHFFFAOYSA-N
XLogP5.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.87
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1023195
N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 5046601
4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 12004925
4-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 12004995
N-{3-[ethyl(3-methylphenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990466
N-{3-[ethyl(phenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990468
N-[2-(3,4-diethoxyphenyl)ethyl]-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990470
N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990514
3-amino-6-benzyl-N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008905
8-chloro-7-methoxy-N-(2-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 16028897
{N}-[4-[({E})-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-6-methoxy-thieno[2,3-b]quinoline-2-carboxamide
CID 155529739
3-chloro-N-(5-methoxy-2-methylphenyl)-N-(quinolin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 71136626

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide (CID 12004946) is 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide is COc1ccc(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)cc1OC.
What is the InChIKey of 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is RQGBASQSCCTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c1-25-15-8-7-11(9-16(15)26-2)22-20(24)17-10-13-18(27-17)12-5-3-4-6-14(12)23-19(13)21/h3-10H,1-2H3,(H,22,24).
What are the key properties of 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 12004946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).