6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

C21H25NO2 — CID 17122358

IUPAC6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccccc1OCC(C)C)CC(=O)N2
InChIInChI=1S/C21H25NO2/c1-13(2)12-24-20-8-6-5-7-16(20)17-11-21(23)22-19-10-15(4)14(3)9-18(17)19/h5-10,13,17H,11-12H2,1-4H3,(H,22,23)
InChIKeyCCWICMKBBFEPCP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.81
Rot. Bonds4

About 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17122358) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID17122358
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccccc1OCC(C)C)CC(=O)N2
InChIInChI=1S/C21H25NO2/c1-13(2)12-24-20-8-6-5-7-16(20)17-11-21(23)22-19-10-15(4)14(3)9-18(17)19/h5-10,13,17H,11-12H2,1-4H3,(H,22,23)
InChIKeyCCWICMKBBFEPCP-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122353
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
CID 95122054
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012
(5S)-1,3-dimethyl-5-[2-(2-methylpropoxy)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 29179766
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 50959115
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 17122358) is 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)C(c1ccccc1OCC(C)C)CC(=O)N2.
What is the InChIKey of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CCWICMKBBFEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-13(2)12-24-20-8-6-5-7-16(20)17-11-21(23)22-19-10-15(4)14(3)9-18(17)19/h5-10,13,17H,11-12H2,1-4H3,(H,22,23).
What are the key properties of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 323.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17122358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).