(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone

C14H18N2O — CID 55055284

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
SMILESNc1ccc2c(c1)N(C(=O)C1CCC1)CCC2
InChIInChI=1S/C14H18N2O/c15-12-7-6-10-5-2-8-16(13(10)9-12)14(17)11-3-1-4-11/h6-7,9,11H,1-5,8,15H2
InChIKeyTUTPHPQBAHFMSF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.35
Rot. Bonds1

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone (PubChem CID 55055284) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
PubChem CID55055284
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
SMILESNc1ccc2c(c1)N(C(=O)C1CCC1)CCC2
InChIInChI=1S/C14H18N2O/c15-12-7-6-10-5-2-8-16(13(10)9-12)14(17)11-3-1-4-11/h6-7,9,11H,1-5,8,15H2
InChIKeyTUTPHPQBAHFMSF-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114824255
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 141303250
(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone
CID 80594399
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
1-[4-(8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166418634
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone (CID 55055284) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone is Nc1ccc2c(c1)N(C(=O)C1CCC1)CCC2.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone?
The InChIKey is TUTPHPQBAHFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-12-7-6-10-5-2-8-16(13(10)9-12)14(17)11-3-1-4-11/h6-7,9,11H,1-5,8,15H2.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone has a molecular weight of 230.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 55055284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).