2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide

C19H21N3O3 — CID 171386518

IUPAC2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
SMILESCN(C)c1ccc2c(c1)NC(=O)CC2c1cccc(OCC(N)=O)c1
InChIInChI=1S/C19H21N3O3/c1-22(2)13-6-7-15-16(10-19(24)21-17(15)9-13)12-4-3-5-14(8-12)25-11-18(20)23/h3-9,16H,10-11H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyWWVSVDJDUCKEEW-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.09
Rot. Bonds5

About 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide

2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide (PubChem CID 171386518) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
PubChem CID171386518
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
SMILESCN(C)c1ccc2c(c1)NC(=O)CC2c1cccc(OCC(N)=O)c1
InChIInChI=1S/C19H21N3O3/c1-22(2)13-6-7-15-16(10-19(24)21-17(15)9-13)12-4-3-5-14(8-12)25-11-18(20)23/h3-9,16H,10-11H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyWWVSVDJDUCKEEW-UHFFFAOYSA-N
XLogP2.09
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135637602
7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 170511743
2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
CID 95133159
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 169412411
(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 95127758
2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 52897805
7-(dimethylamino)-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171385906
2-[3-[(4S)-3-methyl-6-oxo-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135902793
(4S)-7-(dimethylamino)-4-[2-(3-methylphenyl)pyrimidin-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95135697
2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
CID 95713375
4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 169410909
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide (CID 171386518) is 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide is CN(C)c1ccc2c(c1)NC(=O)CC2c1cccc(OCC(N)=O)c1.
What is the InChIKey of 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide?
The InChIKey is WWVSVDJDUCKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22(2)13-6-7-15-16(10-19(24)21-17(15)9-13)12-4-3-5-14(8-12)25-11-18(20)23/h3-9,16H,10-11H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide?
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide is sourced from PubChem (CID 171386518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).