N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide

C19H26N2O3 — CID 131683090

IUPACN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide
SMILESO=C(CC1(O)CCC1)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C19H26N2O3/c22-17(11-19(24)8-1-9-19)20-15-5-6-16-14(10-15)4-7-18(23)21(16)12-13-2-3-13/h4,7,13,15,24H,1-3,5-6,8-12H2,(H,20,22)
InChIKeyXSWOMJIIQXHFLD-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds5

About N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide (PubChem CID 131683090) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide
PubChem CID131683090
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide
SMILESO=C(CC1(O)CCC1)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C19H26N2O3/c22-17(11-19(24)8-1-9-19)20-15-5-6-16-14(10-15)4-7-18(23)21(16)12-13-2-3-13/h4,7,13,15,24H,1-3,5-6,8-12H2,(H,20,22)
InChIKeyXSWOMJIIQXHFLD-UHFFFAOYSA-N
XLogP1.54
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide
CID 131682225
N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
CID 97389978
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
CID 131682231
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-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 118739005
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]-1H-pyrrole-3-carboxamide
CID 131683102
3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
CID 118740731
(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464143
1-(cyclopropylmethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155862722
2-methoxy-N-[1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 131648126

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide (CID 131683090) is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide is O=C(CC1(O)CCC1)NC1CCc2c(ccc(=O)n2CC2CC2)C1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide?
The InChIKey is XSWOMJIIQXHFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17(11-19(24)8-1-9-19)20-15-5-6-16-14(10-15)4-7-18(23)21(16)12-13-2-3-13/h4,7,13,15,24H,1-3,5-6,8-12H2,(H,20,22).
What are the key properties of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide?
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 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]-2-(1-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 131683090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).