4-(3-cyclopropylpropyl)-1H-quinolin-2-one

C15H17NO — CID 123202652

IUPAC4-(3-cyclopropylpropyl)-1H-quinolin-2-one
SMILESO=c1cc(CCCC2CC2)c2ccccc2[nH]1
InChIInChI=1S/C15H17NO/c17-15-10-12(5-3-4-11-8-9-11)13-6-1-2-7-14(13)16-15/h1-2,6-7,10-11H,3-5,8-9H2,(H,16,17)
InChIKeyUAHXVOKVMGISML-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.26
Rot. Bonds4

About 4-(3-cyclopropylpropyl)-1H-quinolin-2-one

4-(3-cyclopropylpropyl)-1H-quinolin-2-one (PubChem CID 123202652) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3-cyclopropylpropyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropylpropyl)-1H-quinolin-2-one
PubChem CID123202652
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(3-cyclopropylpropyl)-1H-quinolin-2-one
SMILESO=c1cc(CCCC2CC2)c2ccccc2[nH]1
InChIInChI=1S/C15H17NO/c17-15-10-12(5-3-4-11-8-9-11)13-6-1-2-7-14(13)16-15/h1-2,6-7,10-11H,3-5,8-9H2,(H,16,17)
InChIKeyUAHXVOKVMGISML-UHFFFAOYSA-N
XLogP3.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropyl)-1H-quinolin-2-one?
The IUPAC name of 4-(3-cyclopropylpropyl)-1H-quinolin-2-one (CID 123202652) is 4-(3-cyclopropylpropyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-cyclopropylpropyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(3-cyclopropylpropyl)-1H-quinolin-2-one is O=c1cc(CCCC2CC2)c2ccccc2[nH]1.
What is the InChIKey of 4-(3-cyclopropylpropyl)-1H-quinolin-2-one?
The InChIKey is UAHXVOKVMGISML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15-10-12(5-3-4-11-8-9-11)13-6-1-2-7-14(13)16-15/h1-2,6-7,10-11H,3-5,8-9H2,(H,16,17).
What are the key properties of 4-(3-cyclopropylpropyl)-1H-quinolin-2-one?
4-(3-cyclopropylpropyl)-1H-quinolin-2-one has a molecular weight of 227.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropyl)-1H-quinolin-2-one is sourced from PubChem (CID 123202652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).