6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C14H21N3O2 — CID 115120823

IUPAC6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(CO)CNCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H21N3O2/c15-12(9-18)8-16-6-5-10-1-3-13-11(7-10)2-4-14(19)17-13/h1,3,7,12,16,18H,2,4-6,8-9,15H2,(H,17,19)
InChIKeyDNCTVWADBIELCZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.02
Rot. Bonds6

About 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115120823) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115120823
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(CO)CNCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H21N3O2/c15-12(9-18)8-16-6-5-10-1-3-13-11(7-10)2-4-14(19)17-13/h1,3,7,12,16,18H,2,4-6,8-9,15H2,(H,17,19)
InChIKeyDNCTVWADBIELCZ-UHFFFAOYSA-N
XLogP0.02
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120551
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 115120823) is 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one is NC(CO)CNCCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DNCTVWADBIELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12(9-18)8-16-6-5-10-1-3-13-11(7-10)2-4-14(19)17-13/h1,3,7,12,16,18H,2,4-6,8-9,15H2,(H,17,19).
What are the key properties of 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115120823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).