6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one

C14H19N3O — CID 115118827

IUPAC6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CNC3CCNC3)ccc2N1
InChIInChI=1S/C14H19N3O/c18-14-4-2-11-7-10(1-3-13(11)17-14)8-16-12-5-6-15-9-12/h1,3,7,12,15-16H,2,4-6,8-9H2,(H,17,18)
InChIKeyMDMDASSZYOWYHS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.02
Rot. Bonds3

About 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115118827) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115118827
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CNC3CCNC3)ccc2N1
InChIInChI=1S/C14H19N3O/c18-14-4-2-11-7-10(1-3-13(11)17-14)8-16-12-5-6-15-9-12/h1,3,7,12,15-16H,2,4-6,8-9H2,(H,17,18)
InChIKeyMDMDASSZYOWYHS-UHFFFAOYSA-N
XLogP1.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
6-(morpholin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116927838
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
2-(2,6-dioxopiperidin-3-yl)-5-[[[(3R)-pyrrolidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167717864
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
CID 115118884
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
2-oxo-N-[(3S)-piperidin-3-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103866615
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975

Frequently Asked Questions

What is the IUPAC name of 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 115118827) is 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CNC3CCNC3)ccc2N1.
What is the InChIKey of 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MDMDASSZYOWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-4-2-11-7-10(1-3-13(11)17-14)8-16-12-5-6-15-9-12/h1,3,7,12,15-16H,2,4-6,8-9H2,(H,17,18).
What are the key properties of 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115118827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).