7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one

C25H34N4O — CID 171387376

IUPAC7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(CN2CCN(C)CC2)c(C)c(C2CC(=O)Nc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C25H34N4O/c1-17-12-19(16-29-10-8-28(5)9-11-29)18(2)22(13-17)23-15-25(30)26-24-14-20(27(3)4)6-7-21(23)24/h6-7,12-14,23H,8-11,15-16H2,1-5H3,(H,26,30)
InChIKeyJWKQHWHSZSDFAN-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.59
Rot. Bonds4

About 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one

7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171387376) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID171387376
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(CN2CCN(C)CC2)c(C)c(C2CC(=O)Nc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C25H34N4O/c1-17-12-19(16-29-10-8-28(5)9-11-29)18(2)22(13-17)23-15-25(30)26-24-14-20(27(3)4)6-7-21(23)24/h6-7,12-14,23H,8-11,15-16H2,1-5H3,(H,26,30)
InChIKeyJWKQHWHSZSDFAN-UHFFFAOYSA-N
XLogP3.59
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 169410909
(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 95127758
7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 170511743
4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 170502916
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 169412411
2-[2-[(4S)-7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetic acid
CID 95133159
(4S)-7-(dimethylamino)-4-[2-(3-methylphenyl)pyrimidin-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95135697
7-(dimethylamino)-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171385906
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
(9S)-9-[4-(dimethylamino)-2-ethoxyphenyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 146334645
9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 170508995
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 171387376) is 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cc(CN2CCN(C)CC2)c(C)c(C2CC(=O)Nc3cc(N(C)C)ccc32)c1.
What is the InChIKey of 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JWKQHWHSZSDFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-17-12-19(16-29-10-8-28(5)9-11-29)18(2)22(13-17)23-15-25(30)26-24-14-20(27(3)4)6-7-21(23)24/h6-7,12-14,23H,8-11,15-16H2,1-5H3,(H,26,30).
What are the key properties of 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one?
7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 406.57 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171387376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).