N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride

C19H21Cl2N3OS — CID 119509830

IUPACN-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H19N3OS.2ClH/c23-19(21-12-13-5-3-9-20-13)15-11-17(18-8-4-10-24-18)22-16-7-2-1-6-14(15)16;;/h1-2,4,6-8,10-11,13,20H,3,5,9,12H2,(H,21,23);2*1H
InChIKeyIUPOJYRGPVKYHA-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.29
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride

N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119509830) has the molecular formula C19H21Cl2N3OS and a molecular weight of 410.37 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
PubChem CID119509830
Molecular FormulaC19H21Cl2N3OS
Molecular Weight410.37 g/mol
Exact Mass409.08
IUPAC NameN-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H19N3OS.2ClH/c23-19(21-12-13-5-3-9-20-13)15-11-17(18-8-4-10-24-18)22-16-7-2-1-6-14(15)16;;/h1-2,4,6-8,10-11,13,20H,3,5,9,12H2,(H,21,23);2*1H
InChIKeyIUPOJYRGPVKYHA-UHFFFAOYSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119459873
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119512509
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
CID 162460261
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166203947
N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 55812409
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 120887710
1-(oxolan-2-ylmethyl)-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea
CID 17375034
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride (CID 119509830) is N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCN1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is IUPOJYRGPVKYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS.2ClH/c23-19(21-12-13-5-3-9-20-13)15-11-17(18-8-4-10-24-18)22-16-7-2-1-6-14(15)16;;/h1-2,4,6-8,10-11,13,20H,3,5,9,12H2,(H,21,23);2*1H.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 410.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119509830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).