N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide

C27H31ClN4OS — CID 20940525

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCc3ccccc32)s1
InChIInChI=1S/C27H31ClN4OS/c28-22-8-3-9-23(20-22)31-18-16-30(17-19-31)14-5-13-29-27(33)25-11-12-26(34-25)32-15-4-7-21-6-1-2-10-24(21)32/h1-3,6,8-12,20H,4-5,7,13-19H2,(H,29,33)
InChIKeyBXWPDRDJHKEMMU-UHFFFAOYSA-N
MW495.09 g/mol
LogP5.43
Rot. Bonds7

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide (PubChem CID 20940525) has the molecular formula C27H31ClN4OS and a molecular weight of 495.09 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
PubChem CID20940525
Molecular FormulaC27H31ClN4OS
Molecular Weight495.09 g/mol
Exact Mass494.19
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCc3ccccc32)s1
InChIInChI=1S/C27H31ClN4OS/c28-22-8-3-9-23(20-22)31-18-16-30(17-19-31)14-5-13-29-27(33)25-11-12-26(34-25)32-15-4-7-21-6-1-2-10-24(21)32/h1-3,6,8-12,20H,4-5,7,13-19H2,(H,29,33)
InChIKeyBXWPDRDJHKEMMU-UHFFFAOYSA-N
XLogP5.43
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.09
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-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

5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 38449040
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 15989718
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86899023
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 20940539
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 20947684

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide (CID 20940525) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide is O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCc3ccccc32)s1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
The InChIKey is BXWPDRDJHKEMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4OS/c28-22-8-3-9-23(20-22)31-18-16-30(17-19-31)14-5-13-29-27(33)25-11-12-26(34-25)32-15-4-7-21-6-1-2-10-24(21)32/h1-3,6,8-12,20H,4-5,7,13-19H2,(H,29,33).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide has a molecular weight of 495.09 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 20940525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).