7-[(cyclohexylamino)methyl]-1H-quinolin-4-one

C16H20N2O — CID 126834177

IUPAC7-[(cyclohexylamino)methyl]-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(CNC3CCCCC3)ccc12
InChIInChI=1S/C16H20N2O/c19-16-8-9-17-15-10-12(6-7-14(15)16)11-18-13-4-2-1-3-5-13/h6-10,13,18H,1-5,11H2,(H,17,19)
InChIKeyCTUMMGPXIYXLTD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds3

About 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one

7-[(cyclohexylamino)methyl]-1H-quinolin-4-one (PubChem CID 126834177) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-[(cyclohexylamino)methyl]-1H-quinolin-4-one
PubChem CID126834177
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name7-[(cyclohexylamino)methyl]-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(CNC3CCCCC3)ccc12
InChIInChI=1S/C16H20N2O/c19-16-8-9-17-15-10-12(6-7-14(15)16)11-18-13-4-2-1-3-5-13/h6-10,13,18H,1-5,11H2,(H,17,19)
InChIKeyCTUMMGPXIYXLTD-UHFFFAOYSA-N
XLogP2.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one
CID 167865232
7-cyclopropyl-1H-quinolin-4-one
CID 169178184
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
CID 10237752
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea
CID 154485178
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
CID 59189919
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373

Frequently Asked Questions

What is the IUPAC name of 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one?
The IUPAC name of 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one (CID 126834177) is 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one?
The canonical SMILES for 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one is O=c1cc[nH]c2cc(CNC3CCCCC3)ccc12.
What is the InChIKey of 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one?
The InChIKey is CTUMMGPXIYXLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-8-9-17-15-10-12(6-7-14(15)16)11-18-13-4-2-1-3-5-13/h6-10,13,18H,1-5,11H2,(H,17,19).
What are the key properties of 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one?
7-[(cyclohexylamino)methyl]-1H-quinolin-4-one has a molecular weight of 256.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(cyclohexylamino)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 126834177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).