[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H22N2O2 — CID 120793074

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H](CN)O1)CCC2
InChIInChI=1S/C16H22N2O2/c1-11-4-5-12-3-2-8-18(14(12)9-11)16(19)15-7-6-13(10-17)20-15/h4-5,9,13,15H,2-3,6-8,10,17H2,1H3/t13-,15+/m1/s1
InChIKeyQDCFVHOMXNGCTQ-HIFRSBDPSA-N
MW274.36 g/mol
LogP1.78
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 120793074) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID120793074
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H](CN)O1)CCC2
InChIInChI=1S/C16H22N2O2/c1-11-4-5-12-3-2-8-18(14(12)9-11)16(19)15-7-6-13(10-17)20-15/h4-5,9,13,15H,2-3,6-8,10,17H2,1H3/t13-,15+/m1/s1
InChIKeyQDCFVHOMXNGCTQ-HIFRSBDPSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120784052
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;hydrochloride
CID 120793633
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120801274
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 7464490
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120800151
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 120793074) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H](CN)O1)CCC2.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QDCFVHOMXNGCTQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-4-5-12-3-2-8-18(14(12)9-11)16(19)15-7-6-13(10-17)20-15/h4-5,9,13,15H,2-3,6-8,10,17H2,1H3/t13-,15+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 120793074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).