6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one

C17H20ClNO2 — CID 154591424

IUPAC6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc2cc(Cl)c(OCC3CCC3)cc2[nH]c1=O
InChIInChI=1S/C17H20ClNO2/c1-10(2)13-6-12-7-14(18)16(8-15(12)19-17(13)20)21-9-11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyYGNAQGKQLLUVKE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.48
Rot. Bonds4

About 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one

6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one (PubChem CID 154591424) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
PubChem CID154591424
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc2cc(Cl)c(OCC3CCC3)cc2[nH]c1=O
InChIInChI=1S/C17H20ClNO2/c1-10(2)13-6-12-7-14(18)16(8-15(12)19-17(13)20)21-9-11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyYGNAQGKQLLUVKE-UHFFFAOYSA-N
XLogP4.48
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one (CID 154591424) is 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one is CC(C)c1cc2cc(Cl)c(OCC3CCC3)cc2[nH]c1=O.
What is the InChIKey of 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is YGNAQGKQLLUVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-10(2)13-6-12-7-14(18)16(8-15(12)19-17(13)20)21-9-11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one?
6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 305.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 154591424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).