6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one

C19H24ClNO2 — CID 503377

IUPAC6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OCC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H24ClNO2/c1-2-6-15-18(23-12-13-7-4-3-5-8-13)16-11-14(20)9-10-17(16)21-19(15)22/h9-11,13H,2-8,12H2,1H3,(H,21,22)
InChIKeyMUZJGRQOUCTDTF-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.09
Rot. Bonds5

About 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one

6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one (PubChem CID 503377) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one
PubChem CID503377
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OCC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H24ClNO2/c1-2-6-15-18(23-12-13-7-4-3-5-8-13)16-11-14(20)9-10-17(16)21-19(15)22/h9-11,13H,2-8,12H2,1H3,(H,21,22)
InChIKeyMUZJGRQOUCTDTF-UHFFFAOYSA-N
XLogP5.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one (CID 503377) is 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one is CCCc1c(OCC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one?
The InChIKey is MUZJGRQOUCTDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-2-6-15-18(23-12-13-7-4-3-5-8-13)16-11-14(20)9-10-17(16)21-19(15)22/h9-11,13H,2-8,12H2,1H3,(H,21,22).
What are the key properties of 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one?
6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one has a molecular weight of 333.86 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 503377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).