8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide

C25H26N2O2S — CID 50776625

IUPAC8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCOC(C)C)sc3c2c1
InChIInChI=1S/C25H26N2O2S/c1-16(2)29-13-7-12-26-25(28)24-22(18-8-5-4-6-9-18)20-15-27-21-11-10-17(3)14-19(21)23(20)30-24/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,26,28)
InChIKeyXIHLIDQEADHQOF-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.97
Rot. Bonds7

About 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide

8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776625) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776625
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCOC(C)C)sc3c2c1
InChIInChI=1S/C25H26N2O2S/c1-16(2)29-13-7-12-26-25(28)24-22(18-8-5-4-6-9-18)20-15-27-21-11-10-17(3)14-19(21)23(20)30-24/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,26,28)
InChIKeyXIHLIDQEADHQOF-UHFFFAOYSA-N
XLogP5.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776788
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375633
8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776734
8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 94073785
3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776760
8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776630
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776637
8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776758
8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
CID 94073763
3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776757
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide (CID 50776625) is 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCOC(C)C)sc3c2c1.
What is the InChIKey of 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is XIHLIDQEADHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-16(2)29-13-7-12-26-25(28)24-22(18-8-5-4-6-9-18)20-15-27-21-11-10-17(3)14-19(21)23(20)30-24/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,26,28).
What are the key properties of 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).