2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one

C26H26N2O2S — CID 20865301

IUPAC2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)sc2c2ccccc21
InChIInChI=1S/C26H26N2O2S/c1-2-28-22-11-7-6-10-20(22)24-21(25(28)29)17-23(31-24)26(30)27-14-12-19(13-15-27)16-18-8-4-3-5-9-18/h3-11,17,19H,2,12-16H2,1H3
InChIKeyYVMZIWPOSDGOSO-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.33
Rot. Bonds4

About 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one

2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one (PubChem CID 20865301) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
PubChem CID20865301
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)sc2c2ccccc21
InChIInChI=1S/C26H26N2O2S/c1-2-28-22-11-7-6-10-20(22)24-21(25(28)29)17-23(31-24)26(30)27-14-12-19(13-15-27)16-18-8-4-3-5-9-18/h3-11,17,19H,2,12-16H2,1H3
InChIKeyYVMZIWPOSDGOSO-UHFFFAOYSA-N
XLogP5.33
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide
CID 20865413
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622369
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865347
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
CID 51046744
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865329
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 6502276
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
5-[(3R)-3-benzylpyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124701503

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one?
The IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one (CID 20865301) is 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one?
The canonical SMILES for 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one is CCn1c(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)sc2c2ccccc21.
What is the InChIKey of 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one?
The InChIKey is YVMZIWPOSDGOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-2-28-22-11-7-6-10-20(22)24-21(25(28)29)17-23(31-24)26(30)27-14-12-19(13-15-27)16-18-8-4-3-5-9-18/h3-11,17,19H,2,12-16H2,1H3.
What are the key properties of 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one?
2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one has a molecular weight of 430.57 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 20865301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).