6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one

C16H18ClNO2 — CID 503376

IUPAC6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C16H18ClNO2/c1-2-4-12-15(20-11-5-3-6-11)13-9-10(17)7-8-14(13)18-16(12)19/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyRNMXTKHQHBBFDF-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.07
Rot. Bonds4

About 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one

6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one (PubChem CID 503376) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one
PubChem CID503376
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C16H18ClNO2/c1-2-4-12-15(20-11-5-3-6-11)13-9-10(17)7-8-14(13)18-16(12)19/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyRNMXTKHQHBBFDF-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one (CID 503376) is 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one is CCCc1c(OC2CCC2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one?
The InChIKey is RNMXTKHQHBBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-2-4-12-15(20-11-5-3-6-11)13-9-10(17)7-8-14(13)18-16(12)19/h7-9,11H,2-6H2,1H3,(H,18,19).
What are the key properties of 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one?
6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one has a molecular weight of 291.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclobutyloxy-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 503376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).