5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C18H22N2O — CID 81107836

IUPAC5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCc1ccc(NC2CCCc3[nH]c(=O)ccc32)cc1
InChIInChI=1S/C18H22N2O/c1-2-4-13-7-9-14(10-8-13)19-16-5-3-6-17-15(16)11-12-18(21)20-17/h7-12,16,19H,2-6H2,1H3,(H,20,21)
InChIKeyPQMQKBWXRILWEJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.82
Rot. Bonds4

About 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107836) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107836
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCCc1ccc(NC2CCCc3[nH]c(=O)ccc32)cc1
InChIInChI=1S/C18H22N2O/c1-2-4-13-7-9-14(10-8-13)19-16-5-3-6-17-15(16)11-12-18(21)20-17/h7-12,16,19H,2-6H2,1H3,(H,20,21)
InChIKeyPQMQKBWXRILWEJ-UHFFFAOYSA-N
XLogP3.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107836) is 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCCc1ccc(NC2CCCc3[nH]c(=O)ccc32)cc1.
What is the InChIKey of 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PQMQKBWXRILWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-4-13-7-9-14(10-8-13)19-16-5-3-6-17-15(16)11-12-18(21)20-17/h7-12,16,19H,2-6H2,1H3,(H,20,21).
What are the key properties of 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 282.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).