4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide

C25H25ClN2OS — CID 46256980

IUPAC4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H25ClN2OS/c1-5-12-28(18-9-7-17(8-10-18)15(2)3)25(29)22-14-20-23(30-22)19-13-16(4)6-11-21(19)27-24(20)26/h6-11,13-15H,5,12H2,1-4H3
InChIKeyGVJPOUXATACHAT-UHFFFAOYSA-N
MW437.01 g/mol
LogP7.59
Rot. Bonds5

About 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide

4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256980) has the molecular formula C25H25ClN2OS and a molecular weight of 437.01 g/mol. Its IUPAC name is 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256980
Molecular FormulaC25H25ClN2OS
Molecular Weight437.01 g/mol
Exact Mass436.14
IUPAC Name4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H25ClN2OS/c1-5-12-28(18-9-7-17(8-10-18)15(2)3)25(29)22-14-20-23(30-22)19-13-16(4)6-11-21(19)27-24(20)26/h6-11,13-15H,5,12H2,1-4H3
InChIKeyGVJPOUXATACHAT-UHFFFAOYSA-N
XLogP7.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.01
LogP ≤ 57.59
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
N-benzyl-4-chloro-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
CID 46256894
N-butyl-4-chloro-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257036
4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256090
4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
CID 46256939
2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide
CID 53416887
4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257034
4-chloro-8-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 44522092
ethyl 4-[(4-chloro-8-methylthieno[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46256991
N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
CID 28770124
7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602863
9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877782

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide (CID 46256980) is 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide is CCCN(C(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is GVJPOUXATACHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2OS/c1-5-12-28(18-9-7-17(8-10-18)15(2)3)25(29)22-14-20-23(30-22)19-13-16(4)6-11-21(19)27-24(20)26/h6-11,13-15H,5,12H2,1-4H3.
What are the key properties of 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 437.01 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-N-(4-propan-2-ylphenyl)-N-propylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).