N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C22H19N3O3S — CID 55760402

IUPACN-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccc2N1
InChIInChI=1S/C22H19N3O3S/c26-20-10-7-16-12-17(8-9-18(16)25-20)24-21(27)15-5-3-14(4-6-15)13-23-22(28)19-2-1-11-29-19/h1-6,8-9,11-12H,7,10,13H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyOJCPXKKKYIRCDK-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.82
Rot. Bonds5

About N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55760402) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55760402
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccc2N1
InChIInChI=1S/C22H19N3O3S/c26-20-10-7-16-12-17(8-9-18(16)25-20)24-21(27)15-5-3-14(4-6-15)13-23-22(28)19-2-1-11-29-19/h1-6,8-9,11-12H,7,10,13H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyOJCPXKKKYIRCDK-UHFFFAOYSA-N
XLogP3.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46494287
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55752421
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
CID 110784738
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)naphthalene-1-carboxamide
CID 40947091

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55760402) is N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C1CCc2cc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccc2N1.
What is the InChIKey of N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is OJCPXKKKYIRCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-20-10-7-16-12-17(8-9-18(16)25-20)24-21(27)15-5-3-14(4-6-15)13-23-22(28)19-2-1-11-29-19/h1-6,8-9,11-12H,7,10,13H2,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55760402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).