1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C38H42ClN5O3S — CID 142056033

IUPAC1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCN(C)CC1Cc2cc(Cl)ccc2N(C(=O)CCc2c[nH]c3ccccc23)C1.NC(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C23H26ClN3O.C15H16N2O2S/c1-26(2)14-16-11-18-12-19(24)8-9-22(18)27(15-16)23(28)10-7-17-13-25-21-6-4-3-5-20(17)21;16-14(18)10-5-7-17(8-6-10)15(19)13-9-11-3-1-2-4-12(11)20-13/h3-6,8-9,12-13,16,25H,7,10-11,14-15H2,1-2H3;1-4,9-10H,5-8H2,(H2,16,18)
InChIKeyIWHDDRDWHUXQOB-UHFFFAOYSA-N
MW684.31 g/mol
LogP6.76
Rot. Bonds7

About 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 142056033) has the molecular formula C38H42ClN5O3S and a molecular weight of 684.31 g/mol. Its IUPAC name is 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID142056033
Molecular FormulaC38H42ClN5O3S
Molecular Weight684.31 g/mol
Exact Mass683.27
IUPAC Name1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCN(C)CC1Cc2cc(Cl)ccc2N(C(=O)CCc2c[nH]c3ccccc23)C1.NC(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C23H26ClN3O.C15H16N2O2S/c1-26(2)14-16-11-18-12-19(24)8-9-22(18)27(15-16)23(28)10-7-17-13-25-21-6-4-3-5-20(17)21;16-14(18)10-5-7-17(8-6-10)15(19)13-9-11-3-1-2-4-12(11)20-13/h3-6,8-9,12-13,16,25H,7,10-11,14-15H2,1-2H3;1-4,9-10H,5-8H2,(H2,16,18)
InChIKeyIWHDDRDWHUXQOB-UHFFFAOYSA-N
XLogP6.76
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.31
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

2-{[(4-chlorophenyl)carbamoyl]amino}-6-{3-[3-(1H-indol-3-yl)propanamido]propyl}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307334
4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide
CID 16008866
4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 16187480
N-[4-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44436759
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-chlorothieno[3,2-c]quinoline-2-carboxamide
CID 44522337
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 44533888
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-4-(thiophen-3-ylmethyl)benzamide
CID 67973784
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-((thiophen-2-ylmethylamino)methyl)benzamide
CID 67974003
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-4-(thiophen-2-ylmethyl)benzamide
CID 67974208
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-4-((thiophen-2-ylmethylamino)methyl)benzamide
CID 67974685
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-(thiophen-2-ylmethyl)benzamide
CID 86699431
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-(thiophen-3-ylmethyl)benzamide
CID 86699432

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 142056033) is 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one is CN(C)CC1Cc2cc(Cl)ccc2N(C(=O)CCc2c[nH]c3ccccc23)C1.NC(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is IWHDDRDWHUXQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O.C15H16N2O2S/c1-26(2)14-16-11-18-12-19(24)8-9-22(18)27(15-16)23(28)10-7-17-13-25-21-6-4-3-5-20(17)21;16-14(18)10-5-7-17(8-6-10)15(19)13-9-11-3-1-2-4-12(11)20-13/h3-6,8-9,12-13,16,25H,7,10-11,14-15H2,1-2H3;1-4,9-10H,5-8H2,(H2,16,18).
What are the key properties of 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 684.31 g/mol, XLogP of 6.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide;1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 142056033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).