5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C18H27ClN2O3 — CID 3040189

IUPAC5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2c(cccc2OCC(O)CNC2CCCCC2)N1
InChIInChI=1S/C18H26N2O3.ClH/c21-14(11-19-13-5-2-1-3-6-13)12-23-17-8-4-7-16-15(17)9-10-18(22)20-16;/h4,7-8,13-14,19,21H,1-3,5-6,9-12H2,(H,20,22);1H
InChIKeyCJJRJIBMJLNTIA-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.66
Rot. Bonds6

About 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 3040189) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID3040189
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2c(cccc2OCC(O)CNC2CCCCC2)N1
InChIInChI=1S/C18H26N2O3.ClH/c21-14(11-19-13-5-2-1-3-6-13)12-23-17-8-4-7-16-15(17)9-10-18(22)20-16;/h4,7-8,13-14,19,21H,1-3,5-6,9-12H2,(H,20,22);1H
InChIKeyCJJRJIBMJLNTIA-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 3040189) is 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cl.O=C1CCc2c(cccc2OCC(O)CNC2CCCCC2)N1.
What is the InChIKey of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is CJJRJIBMJLNTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c21-14(11-19-13-5-2-1-3-6-13)12-23-17-8-4-7-16-15(17)9-10-18(22)20-16;/h4,7-8,13-14,19,21H,1-3,5-6,9-12H2,(H,20,22);1H.
What are the key properties of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 3040189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).