N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C25H31N5OS — CID 46362929

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCCC(C(=O)NCCN4CCCc5ccccc54)C3)ncnc2s1
InChIInChI=1S/C25H31N5OS/c1-2-20-15-21-23(27-17-28-25(21)32-20)30-13-6-9-19(16-30)24(31)26-11-14-29-12-5-8-18-7-3-4-10-22(18)29/h3-4,7,10,15,17,19H,2,5-6,8-9,11-14,16H2,1H3,(H,26,31)
InChIKeyWIKIAEWGXKKAOI-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 46362929) has the molecular formula C25H31N5OS and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID46362929
Molecular FormulaC25H31N5OS
Molecular Weight449.62 g/mol
Exact Mass449.22
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCCC(C(=O)NCCN4CCCc5ccccc54)C3)ncnc2s1
InChIInChI=1S/C25H31N5OS/c1-2-20-15-21-23(27-17-28-25(21)32-20)30-13-6-9-19(16-30)24(31)26-11-14-29-12-5-8-18-7-3-4-10-22(18)29/h3-4,7,10,15,17,19H,2,5-6,8-9,11-14,16H2,1H3,(H,26,31)
InChIKeyWIKIAEWGXKKAOI-UHFFFAOYSA-N
XLogP4.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46362925
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92877156
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 46362929) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1cc2c(N3CCCC(C(=O)NCCN4CCCc5ccccc54)C3)ncnc2s1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is WIKIAEWGXKKAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5OS/c1-2-20-15-21-23(27-17-28-25(21)32-20)30-13-6-9-19(16-30)24(31)26-11-14-29-12-5-8-18-7-3-4-10-22(18)29/h3-4,7,10,15,17,19H,2,5-6,8-9,11-14,16H2,1H3,(H,26,31).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46362929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).