N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide

C18H20N2O2S — CID 118739005

IUPACN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccsc1
InChIInChI=1S/C18H20N2O2S/c21-17-6-3-13-9-15(19-18(22)14-7-8-23-11-14)4-5-16(13)20(17)10-12-1-2-12/h3,6-8,11-12,15H,1-2,4-5,9-10H2,(H,19,22)
InChIKeyPPJZMWUYLRCIKG-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide (PubChem CID 118739005) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
PubChem CID118739005
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccsc1
InChIInChI=1S/C18H20N2O2S/c21-17-6-3-13-9-15(19-18(22)14-7-8-23-11-14)4-5-16(13)20(17)10-12-1-2-12/h3,6-8,11-12,15H,1-2,4-5,9-10H2,(H,19,22)
InChIKeyPPJZMWUYLRCIKG-UHFFFAOYSA-N
XLogP2.61
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 97389930
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131683102
3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
CID 118740731
N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
CID 97406161
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide
CID 131683090
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
CID 134076221
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-3-(1H-pyrrol-2-yl)propanamide
CID 131683006
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]thiophene-3-carboxamide
CID 97494257
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131682929
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide
CID 164653916
(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464143

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide (CID 118739005) is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide is O=C(NC1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccsc1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
The InChIKey is PPJZMWUYLRCIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17-6-3-13-9-15(19-18(22)14-7-8-23-11-14)4-5-16(13)20(17)10-12-1-2-12/h3,6-8,11-12,15H,1-2,4-5,9-10H2,(H,19,22).
What are the key properties of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide?
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 118739005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).