(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one

C19H30N2O — CID 157367520

IUPAC(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one
SMILESCC(=O)[C@@H](N)CCCCCCCc1ccc2c(n1)CCCC2
InChIInChI=1S/C19H30N2O/c1-15(22)18(20)11-6-4-2-3-5-10-17-14-13-16-9-7-8-12-19(16)21-17/h13-14,18H,2-12,20H2,1H3/t18-/m0/s1
InChIKeyDFHOAQXYLAPVOR-SFHVURJKSA-N
MW302.46 g/mol
LogP3.76
Rot. Bonds9

About (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one

(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one (PubChem CID 157367520) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one
PubChem CID157367520
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one
SMILESCC(=O)[C@@H](N)CCCCCCCc1ccc2c(n1)CCCC2
InChIInChI=1S/C19H30N2O/c1-15(22)18(20)11-6-4-2-3-5-10-17-14-13-16-9-7-8-12-19(16)21-17/h13-14,18H,2-12,20H2,1H3/t18-/m0/s1
InChIKeyDFHOAQXYLAPVOR-SFHVURJKSA-N
XLogP3.76
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile
CID 13133503
(2S)-2-amino-4-[2-(2,2-difluoroethoxy)ethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]butanoic acid
CID 158657206
ethyl (2S)-2-[[(2S,3S)-3-methylpyrrolidine-2-carbonyl]amino]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoate
CID 159734899
3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid
CID 157320941
(2R)-2-[2-[(4S)-2,2-dimethyloxan-4-yl]-2-oxoethyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid
CID 165032005
(1S)-1-(4-ethylphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
CID 158859267
(1R)-1-(4-ethylphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
CID 158859268
N-(3-tert-butyl-4-hydroxypent-4-enyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanamide
CID 163443467
methyl 2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetate
CID 157053292
2-acetamido-2-[3-hydroxy-1-[6-(5,6,7,8-tetrahydroquinolin-2-yl)hexanoyl]azetidin-3-yl]acetic acid
CID 148832342
3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one
CID 174152834
(3S)-3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one
CID 139481324

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one?
The IUPAC name of (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one (CID 157367520) is (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one.
What is the SMILES notation for (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one?
The canonical SMILES for (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one is CC(=O)[C@@H](N)CCCCCCCc1ccc2c(n1)CCCC2.
What is the InChIKey of (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one?
The InChIKey is DFHOAQXYLAPVOR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(22)18(20)11-6-4-2-3-5-10-17-14-13-16-9-7-8-12-19(16)21-17/h13-14,18H,2-12,20H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one?
(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one has a molecular weight of 302.46 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one is sourced from PubChem (CID 157367520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).