7-cyclopropyl-1H-quinolin-4-one

C12H11NO — CID 169178184

IUPAC7-cyclopropyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C12H11NO/c14-12-5-6-13-11-7-9(8-1-2-8)3-4-10(11)12/h3-8H,1-2H2,(H,13,14)
InChIKeyLXXRCNVNBYVRAD-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.41
Rot. Bonds1

About 7-cyclopropyl-1H-quinolin-4-one

7-cyclopropyl-1H-quinolin-4-one (PubChem CID 169178184) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 7-cyclopropyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-cyclopropyl-1H-quinolin-4-one
PubChem CID169178184
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name7-cyclopropyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C12H11NO/c14-12-5-6-13-11-7-9(8-1-2-8)3-4-10(11)12/h3-8H,1-2H2,(H,13,14)
InChIKeyLXXRCNVNBYVRAD-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1H-quinolin-4-one?
The IUPAC name of 7-cyclopropyl-1H-quinolin-4-one (CID 169178184) is 7-cyclopropyl-1H-quinolin-4-one.
What is the SMILES notation for 7-cyclopropyl-1H-quinolin-4-one?
The canonical SMILES for 7-cyclopropyl-1H-quinolin-4-one is O=c1cc[nH]c2cc(C3CC3)ccc12.
What is the InChIKey of 7-cyclopropyl-1H-quinolin-4-one?
The InChIKey is LXXRCNVNBYVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-5-6-13-11-7-9(8-1-2-8)3-4-10(11)12/h3-8H,1-2H2,(H,13,14).
What are the key properties of 7-cyclopropyl-1H-quinolin-4-one?
7-cyclopropyl-1H-quinolin-4-one has a molecular weight of 185.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1H-quinolin-4-one is sourced from PubChem (CID 169178184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).