5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one

C19H28N2O5 — CID 20570364

IUPAC5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)COc1ccc(OCC(O)CNC(C)C)c2c1NC(=O)CC2
InChIInChI=1S/C19H28N2O5/c1-4-13(22)10-26-17-7-6-16(15-5-8-18(24)21-19(15)17)25-11-14(23)9-20-12(2)3/h6-7,12,14,20,23H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyNCLLJKMJVSGPRX-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.67
Rot. Bonds10

About 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one

5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 20570364) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID20570364
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)COc1ccc(OCC(O)CNC(C)C)c2c1NC(=O)CC2
InChIInChI=1S/C19H28N2O5/c1-4-13(22)10-26-17-7-6-16(15-5-8-18(24)21-19(15)17)25-11-14(23)9-20-12(2)3/h6-7,12,14,20,23H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyNCLLJKMJVSGPRX-UHFFFAOYSA-N
XLogP1.67
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20570418
ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 143124186
5-[3-(benzhydrylamino)-2-hydroxypropoxy]-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
CID 12925490
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 14750939
8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20570433
5-[3-[1-(3,4-dimethoxyphenoxy)propan-2-ylamino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 20561362
N-[5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]-2,2,2-trifluoroacetamide
CID 21326315
5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 20570350
6-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531643
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-pent-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
CID 20570428
4-[[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]oxy]butanamide
CID 20570412
8-but-2-ynoxy-5-[2-hydroxy-3-[2-(4-methoxyphenoxy)ethylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20570338

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one (CID 20570364) is 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one is CCC(=O)COc1ccc(OCC(O)CNC(C)C)c2c1NC(=O)CC2.
What is the InChIKey of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NCLLJKMJVSGPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-4-13(22)10-26-17-7-6-16(15-5-8-18(24)21-19(15)17)25-11-14(23)9-20-12(2)3/h6-7,12,14,20,23H,4-5,8-11H2,1-3H3,(H,21,24).
What are the key properties of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 364.44 g/mol, XLogP of 1.67, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 20570364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).