6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one

C19H27N3O — CID 159127321

IUPAC6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(NC3CC3)ccc2N1CCCN1CCCC1
InChIInChI=1S/C19H27N3O/c23-19-9-4-15-14-17(20-16-5-6-16)7-8-18(15)22(19)13-3-12-21-10-1-2-11-21/h7-8,14,16,20H,1-6,9-13H2
InChIKeyKGLFXTVVRMNSRZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.03
Rot. Bonds6

About 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one

6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one (PubChem CID 159127321) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one
PubChem CID159127321
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(NC3CC3)ccc2N1CCCN1CCCC1
InChIInChI=1S/C19H27N3O/c23-19-9-4-15-14-17(20-16-5-6-16)7-8-18(15)22(19)13-3-12-21-10-1-2-11-21/h7-8,14,16,20H,1-6,9-13H2
InChIKeyKGLFXTVVRMNSRZ-UHFFFAOYSA-N
XLogP3.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one (CID 159127321) is 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(NC3CC3)ccc2N1CCCN1CCCC1.
What is the InChIKey of 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one?
The InChIKey is KGLFXTVVRMNSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19-9-4-15-14-17(20-16-5-6-16)7-8-18(15)22(19)13-3-12-21-10-1-2-11-21/h7-8,14,16,20H,1-6,9-13H2.
What are the key properties of 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one?
6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one has a molecular weight of 313.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 159127321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).