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

C17H16ClNO2 — CID 503381

IUPAC6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC#CC2CC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H16ClNO2/c1-2-3-13-16(21-9-8-11-4-5-11)14-10-12(18)6-7-15(14)19-17(13)20/h6-7,10-11H,2-5H2,1H3,(H,19,20)
InChIKeyRGJIQWRWAKAMFR-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.88
Rot. Bonds3

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

6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one (PubChem CID 503381) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one
PubChem CID503381
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC#CC2CC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H16ClNO2/c1-2-3-13-16(21-9-8-11-4-5-11)14-10-12(18)6-7-15(14)19-17(13)20/h6-7,10-11H,2-5H2,1H3,(H,19,20)
InChIKeyRGJIQWRWAKAMFR-UHFFFAOYSA-N
XLogP3.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-(cyclopropylmethoxy)-3-propyl-1H-quinolin-2-one
CID 503379
6-chloro-4-(cyclobutylmethylsulfanyl)-3-propyl-1H-quinolin-2-one
CID 503388
6-amino-4-methyl-3-propyl-1H-quinolin-2-one
CID 118872268
(3,6-dichloro-2-oxo-1H-quinolin-4-yl)methyl acetate
CID 121013645
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983
6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one
CID 68556010
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate
CID 51031353
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
CID 84639003
5-chloro-N,3-diethyl-1H-indole-2-sulfonamide
CID 123539160
6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993581
(3-amino-6-chloro-2-oxo-1H-quinolin-4-yl)oxyboronic acid
CID 178066419

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one (CID 503381) is 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one is CCCc1c(OC#CC2CC2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one?
The InChIKey is RGJIQWRWAKAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-3-13-16(21-9-8-11-4-5-11)14-10-12(18)6-7-15(14)19-17(13)20/h6-7,10-11H,2-5H2,1H3,(H,19,20).
What are the key properties of 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one?
6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one has a molecular weight of 301.77 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-cyclopropylethynoxy)-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 503381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).