N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide

C28H30N4O2S — CID 92750683

IUPACN-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCN(Cc1cccs1)C[C@@H]1CCCO1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C28H30N4O2S/c33-28(25-17-27(21-7-3-12-29-18-21)31-26-11-2-1-10-24(25)26)30-13-6-14-32(19-22-8-4-15-34-22)20-23-9-5-16-35-23/h1-3,5,7,9-12,16-18,22H,4,6,8,13-15,19-20H2,(H,30,33)/t22-/m0/s1
InChIKeyACIXNUVWPHXOGD-QFIPXVFZSA-N
MW486.64 g/mol
LogP5.16
Rot. Bonds10

About N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 92750683) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID92750683
Molecular FormulaC28H30N4O2S
Molecular Weight486.64 g/mol
Exact Mass486.21
IUPAC NameN-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCN(Cc1cccs1)C[C@@H]1CCCO1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C28H30N4O2S/c33-28(25-17-27(21-7-3-12-29-18-21)31-26-11-2-1-10-24(25)26)30-13-6-14-32(19-22-8-4-15-34-22)20-23-9-5-16-35-23/h1-3,5,7,9-12,16-18,22H,4,6,8,13-15,19-20H2,(H,30,33)/t22-/m0/s1
InChIKeyACIXNUVWPHXOGD-QFIPXVFZSA-N
XLogP5.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-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

N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 92735084
N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 92735083
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide
CID 46690051
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 92750683) is N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCCCN(Cc1cccs1)C[C@@H]1CCCO1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is ACIXNUVWPHXOGD-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30N4O2S/c33-28(25-17-27(21-7-3-12-29-18-21)31-26-11-2-1-10-24(25)26)30-13-6-14-32(19-22-8-4-15-34-22)20-23-9-5-16-35-23/h1-3,5,7,9-12,16-18,22H,4,6,8,13-15,19-20H2,(H,30,33)/t22-/m0/s1.
What are the key properties of N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 92750683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).