(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

C20H26N2O2 — CID 97464143

IUPAC(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cc(CN[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)oc1C
InChIInChI=1S/C20H26N2O2/c1-13-9-18(24-14(13)2)11-21-17-6-7-19-16(10-17)5-8-20(23)22(19)12-15-3-4-15/h5,8-9,15,17,21H,3-4,6-7,10-12H2,1-2H3/t17-/m1/s1
InChIKeyFVKHVFRHQCGFJO-QGZVFWFLSA-N
MW326.44 g/mol
LogP3.12
Rot. Bonds5

About (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 97464143) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID97464143
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cc(CN[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)oc1C
InChIInChI=1S/C20H26N2O2/c1-13-9-18(24-14(13)2)11-21-17-6-7-19-16(10-17)5-8-20(23)22(19)12-15-3-4-15/h5,8-9,15,17,21H,3-4,6-7,10-12H2,1-2H3/t17-/m1/s1
InChIKeyFVKHVFRHQCGFJO-QGZVFWFLSA-N
XLogP3.12
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide
CID 97464155
(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464038
1-(cyclopropylmethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155862722
2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
CID 131682231
N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
CID 97406161
N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
CID 97389978
(6S)-6-(furan-2-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97390003
1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 131657036
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 118739005
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131683102
2-[6-(furan-3-ylmethylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]-N,N-dimethylacetamide
CID 118742487

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 97464143) is (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is Cc1cc(CN[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)oc1C.
What is the InChIKey of (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is FVKHVFRHQCGFJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-9-18(24-14(13)2)11-21-17-6-7-19-16(10-17)5-8-20(23)22(19)12-15-3-4-15/h5,8-9,15,17,21H,3-4,6-7,10-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 97464143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).