6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one

C16H18ClNO3 — CID 503391

IUPAC6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one
SMILESCCOc1c(OCC2CCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C16H18ClNO3/c1-2-20-15-14(21-9-10-4-3-5-10)12-8-11(17)6-7-13(12)18-16(15)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyCKVRGLZAFOHYDD-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.76
Rot. Bonds5

About 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one

6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one (PubChem CID 503391) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one
PubChem CID503391
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one
SMILESCCOc1c(OCC2CCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C16H18ClNO3/c1-2-20-15-14(21-9-10-4-3-5-10)12-8-11(17)6-7-13(12)18-16(15)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyCKVRGLZAFOHYDD-UHFFFAOYSA-N
XLogP3.76
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
CID 448724
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
CID 448729
6-chloro-4-(cyclopentoxy)-3-propyl-1H-quinolin-2-one
CID 503365
6-chloro-4-(cyclopentoxy)-3-ethyl-1H-quinolin-2-one
CID 503373
6-chloro-4-(cyclopentoxy)-3-sec-butyl-1H-quinolin-2-one
CID 503374
6-chloro-4-(cyclopentoxy)-3-isobutyl-1H-quinolin-2-one
CID 503375
6-chloro-4-(cyclobutoxy)-3-propyl-1H-quinolin-2-one
CID 503376
6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one
CID 503377
6-chloro-4-(cyclobutylmethoxy)-3-propyl-1H-quinolin-2-one
CID 503378
6-chloro-4-(cyclopropylmethoxy)-3-propyl-1H-quinolin-2-one
CID 503379
6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one
CID 503381
6-chloro-4-(cyclobutylmethoxy)-3-isopropyl-1H-quinolin-2-one
CID 503385

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one (CID 503391) is 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one is CCOc1c(OCC2CCC2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one?
The InChIKey is CKVRGLZAFOHYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-2-20-15-14(21-9-10-4-3-5-10)12-8-11(17)6-7-13(12)18-16(15)19/h6-8,10H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one?
6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one has a molecular weight of 307.78 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 503391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).