8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one

C18H26N2O3 — CID 20555988

IUPAC8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCCCNC3CCCCC3O)c2N1
InChIInChI=1S/C18H26N2O3/c21-15-7-2-1-6-14(15)19-11-4-12-23-16-8-3-5-13-9-10-17(22)20-18(13)16/h3,5,8,14-15,19,21H,1-2,4,6-7,9-12H2,(H,20,22)
InChIKeyOVZWAVWHXZHKMQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.23
Rot. Bonds6

About 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one

8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 20555988) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID20555988
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCCCNC3CCCCC3O)c2N1
InChIInChI=1S/C18H26N2O3/c21-15-7-2-1-6-14(15)19-11-4-12-23-16-8-3-5-13-9-10-17(22)20-18(13)16/h3,5,8,14-15,19,21H,1-2,4,6-7,9-12H2,(H,20,22)
InChIKeyOVZWAVWHXZHKMQ-UHFFFAOYSA-N
XLogP2.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 20555988) is 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(OCCCNC3CCCCC3O)c2N1.
What is the InChIKey of 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OVZWAVWHXZHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-15-7-2-1-6-14(15)19-11-4-12-23-16-8-3-5-13-9-10-17(22)20-18(13)16/h3,5,8,14-15,19,21H,1-2,4,6-7,9-12H2,(H,20,22).
What are the key properties of 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(2-hydroxycyclohexyl)amino]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 20555988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).