1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one

C14H16N2O2 — CID 166787687

IUPAC1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
SMILESC=C(CN=O)C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-10-7-12-5-3-4-6-13(12)16(9-10)14(17)11(2)8-15-18/h3-6,10H,2,7-9H2,1H3
InChIKeyRDZQKKDGUYQVSL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds3

About 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one (PubChem CID 166787687) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
PubChem CID166787687
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
SMILESC=C(CN=O)C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-10-7-12-5-3-4-6-13(12)16(9-10)14(17)11(2)8-15-18/h3-6,10H,2,7-9H2,1H3
InChIKeyRDZQKKDGUYQVSL-UHFFFAOYSA-N
XLogP2.53
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
N',3-dimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 63489252
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
3-(dimethylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-yn-1-one
CID 166787642

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one?
The IUPAC name of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one (CID 166787687) is 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one?
The canonical SMILES for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one is C=C(CN=O)C(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one?
The InChIKey is RDZQKKDGUYQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-7-12-5-3-4-6-13(12)16(9-10)14(17)11(2)8-15-18/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one?
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one is sourced from PubChem (CID 166787687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).