8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

C16H24N2O3 — CID 12961383

IUPAC8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)NCC(O)COc1cccc2c1NC(=O)CC2
InChIInChI=1S/C16H24N2O3/c1-16(2,3)17-9-12(19)10-21-13-6-4-5-11-7-8-14(20)18-15(11)13/h4-6,12,17,19H,7-10H2,1-3H3,(H,18,20)
InChIKeyCJDTYLPMJJKLJN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.70
Rot. Bonds5

About 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12961383) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID12961383
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)NCC(O)COc1cccc2c1NC(=O)CC2
InChIInChI=1S/C16H24N2O3/c1-16(2,3)17-9-12(19)10-21-13-6-4-5-11-7-8-14(20)18-15(11)13/h4-6,12,17,19H,7-10H2,1-3H3,(H,18,20)
InChIKeyCJDTYLPMJJKLJN-UHFFFAOYSA-N
XLogP1.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Carteolol
CID 2583
Carteolol Hydrochloride
CID 40127
Dabelotine
CID 177949
Np-10679
CID 162623707
N-(2-hydroxybutyl)-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylpentanamide
CID 44367386
(-)-Carteolol
CID 6604410
8-Hydroxycarteolol
CID 124688
Octadec-9-enoic acid (2-ethoxy-6-methyl-phenyl)-amide
CID 44288607
(3S)-3-amino-1-hydroxy-8-methoxy-3,4-dihydroquinolin-2-one
CID 53254677
2-ethyl-N-(5-methylhexan-2-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 60195832
2(1H)-Quinolinone, 3,4-dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, monohydrochloride
CID 3040185
2(1H)-Quinolinone, 3,4-dihydro-5-(2-hydroxy-3-((phenylmethyl)amino)propoxy)-, monohydrochloride
CID 3040187

Frequently Asked Questions

What is the IUPAC name of 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one (CID 12961383) is 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)NCC(O)COc1cccc2c1NC(=O)CC2.
What is the InChIKey of 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CJDTYLPMJJKLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)17-9-12(19)10-21-13-6-4-5-11-7-8-14(20)18-15(11)13/h4-6,12,17,19H,7-10H2,1-3H3,(H,18,20).
What are the key properties of 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12961383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).