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

C21H17ClN2OS — CID 46256090

IUPAC4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c1cccc(C)c1
InChIInChI=1S/C21H17ClN2OS/c1-3-24(14-8-6-7-13(2)11-14)21(25)18-12-16-19(26-18)15-9-4-5-10-17(15)23-20(16)22/h4-12H,3H2,1-2H3
InChIKeyDHAZLOWYCZHFPD-UHFFFAOYSA-N
MW380.90 g/mol
LogP6.08
Rot. Bonds3

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

4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256090) has the molecular formula C21H17ClN2OS and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256090
Molecular FormulaC21H17ClN2OS
Molecular Weight380.90 g/mol
Exact Mass380.08
IUPAC Name4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c1cccc(C)c1
InChIInChI=1S/C21H17ClN2OS/c1-3-24(14-8-6-7-13(2)11-14)21(25)18-12-16-19(26-18)15-9-4-5-10-17(15)23-20(16)22/h4-12H,3H2,1-2H3
InChIKeyDHAZLOWYCZHFPD-UHFFFAOYSA-N
XLogP6.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3,4-dichlorophenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
CID 46256118
4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46256073
4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 113221701
4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
CID 46256980
N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
CID 45030789
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 110696261
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N-butyl-4-chloro-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257036
N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 107736172
4-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 46256069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide (CID 46256090) is 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide is CCN(C(=O)c1cc2c(Cl)nc3ccccc3c2s1)c1cccc(C)c1.
What is the InChIKey of 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is DHAZLOWYCZHFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS/c1-3-24(14-8-6-7-13(2)11-14)21(25)18-12-16-19(26-18)15-9-4-5-10-17(15)23-20(16)22/h4-12H,3H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 380.90 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).