1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide

C17H21N3O — CID 81428680

IUPAC1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O/c1-12-8-17(9-12,11-18)16(21)20-10-14-5-2-4-13-6-3-7-19-15(13)14/h2-7,12H,8-11,18H2,1H3,(H,20,21)
InChIKeyWJJZHIYRFCZOMA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.23
Rot. Bonds4

About 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 81428680) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide
PubChem CID81428680
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O/c1-12-8-17(9-12,11-18)16(21)20-10-14-5-2-4-13-6-3-7-19-15(13)14/h2-7,12H,8-11,18H2,1H3,(H,20,21)
InChIKeyWJJZHIYRFCZOMA-UHFFFAOYSA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 120645665
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80599154
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide (CID 81428680) is 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCc2cccc3cccnc23)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is WJJZHIYRFCZOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-17(9-12,11-18)16(21)20-10-14-5-2-4-13-6-3-7-19-15(13)14/h2-7,12H,8-11,18H2,1H3,(H,20,21).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81428680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).