7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one

C20H25N3O — CID 170511743

IUPAC7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)Cc1cccc(C2CC(=O)Nc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C20H25N3O/c1-22(2)13-14-6-5-7-15(10-14)18-12-20(24)21-19-11-16(23(3)4)8-9-17(18)19/h5-11,18H,12-13H2,1-4H3,(H,21,24)
InChIKeyDZNCOMLCOGDZIO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.29
Rot. Bonds4

About 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one

7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 170511743) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID170511743
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)Cc1cccc(C2CC(=O)Nc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C20H25N3O/c1-22(2)13-14-6-5-7-15(10-14)18-12-20(24)21-19-11-16(23(3)4)8-9-17(18)19/h5-11,18H,12-13H2,1-4H3,(H,21,24)
InChIKeyDZNCOMLCOGDZIO-UHFFFAOYSA-N
XLogP3.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 95127758
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 169410909
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 169412411
(4S)-7-(dimethylamino)-4-[2-(3-methylphenyl)pyrimidin-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95135697
2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
CID 95133159
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923
7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171387376
4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 170502916
7-(dimethylamino)-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171385906
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 170511743) is 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one is CN(C)Cc1cccc(C2CC(=O)Nc3cc(N(C)C)ccc32)c1.
What is the InChIKey of 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DZNCOMLCOGDZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)13-14-6-5-7-15(10-14)18-12-20(24)21-19-11-16(23(3)4)8-9-17(18)19/h5-11,18H,12-13H2,1-4H3,(H,21,24).
What are the key properties of 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 323.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 170511743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).