(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C14H18N2O — CID 81179499

IUPAC(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNC1(C(=O)N2CCCc3ccccc32)CCC1
InChIInChI=1S/C14H18N2O/c15-14(8-4-9-14)13(17)16-10-3-6-11-5-1-2-7-12(11)16/h1-2,5,7H,3-4,6,8-10,15H2
InChIKeyGYEOGPQOLFOHIT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds1

About (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 81179499) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID81179499
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNC1(C(=O)N2CCCc3ccccc32)CCC1
InChIInChI=1S/C14H18N2O/c15-14(8-4-9-14)13(17)16-10-3-6-11-5-1-2-7-12(11)16/h1-2,5,7H,3-4,6,8-10,15H2
InChIKeyGYEOGPQOLFOHIT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclobutyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81178918
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115441389
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 81179499) is (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is NC1(C(=O)N2CCCc3ccccc32)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GYEOGPQOLFOHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-14(8-4-9-14)13(17)16-10-3-6-11-5-1-2-7-12(11)16/h1-2,5,7H,3-4,6,8-10,15H2.
What are the key properties of (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 81179499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).