cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C17H23N2O+ — CID 7447307

IUPACcyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc2c1
InChIInChI=1S/C17H22N2O/c1-12-7-8-16-13(9-12)10-14(17(20)19-16)11-18-15-5-3-2-4-6-15/h7-10,15,18H,2-6,11H2,1H3,(H,19,20)/p+1
InChIKeyGXYYOVFUIVCZJR-UHFFFAOYSA-O
MW271.38 g/mol
LogP2.23
Rot. Bonds3

About cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7447307) has the molecular formula C17H23N2O+ and a molecular weight of 271.38 g/mol. Its IUPAC name is cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID7447307
Molecular FormulaC17H23N2O+
Molecular Weight271.38 g/mol
Exact Mass271.18
IUPAC Namecyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc2c1
InChIInChI=1S/C17H22N2O/c1-12-7-8-16-13(9-12)10-14(17(20)19-16)11-18-15-5-3-2-4-6-15/h7-10,15,18H,2-6,11H2,1H3,(H,19,20)/p+1
InChIKeyGXYYOVFUIVCZJR-UHFFFAOYSA-O
XLogP2.23
TPSA49.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
CID 84635994
6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 858511
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylcyclohexanecarboxamide
CID 1385389
1-cyclopentyl-3-ethyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 863738
3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1457677
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103351
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1459156

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7447307) is cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1ccc2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc2c1.
What is the InChIKey of cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is GXYYOVFUIVCZJR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N2O/c1-12-7-8-16-13(9-12)10-14(17(20)19-16)11-18-15-5-3-2-4-6-15/h7-10,15,18H,2-6,11H2,1H3,(H,19,20)/p+1.
What are the key properties of cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 271.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7447307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).