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

C15H20N2O — CID 81169109

IUPAC(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C15H20N2O/c1-11-9-12-5-2-3-6-13(12)17(10-11)14(18)15(16)7-4-8-15/h2-3,5-6,11H,4,7-10,16H2,1H3
InChIKeyCVBCSTSZQHSYMB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.09
Rot. Bonds1

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

(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 81169109) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID81169109
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C15H20N2O/c1-11-9-12-5-2-3-6-13(12)17(10-11)14(18)15(16)7-4-8-15/h2-3,5-6,11H,4,7-10,16H2,1H3
InChIKeyCVBCSTSZQHSYMB-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide
CID 80598659
1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile
CID 63378040
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 95339864

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 81169109) is (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)C2(N)CCC2)C1.
What is the InChIKey of (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CVBCSTSZQHSYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-9-12-5-2-3-6-13(12)17(10-11)14(18)15(16)7-4-8-15/h2-3,5-6,11H,4,7-10,16H2,1H3.
What are the key properties of (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 81169109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).