2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

C23H23NO2 — CID 168796540

IUPAC2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1-c1ccc(OCc3ccccc3)cc1)CCCC2
InChIInChI=1S/C23H23NO2/c1-16-22(23(25)20-9-5-6-10-21(20)24-16)18-11-13-19(14-12-18)26-15-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,24,25)
InChIKeyPWFNUJWSNCPIIL-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.81
Rot. Bonds4

About 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 168796540) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID168796540
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1-c1ccc(OCc3ccccc3)cc1)CCCC2
InChIInChI=1S/C23H23NO2/c1-16-22(23(25)20-9-5-6-10-21(20)24-16)18-11-13-19(14-12-18)26-15-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,24,25)
InChIKeyPWFNUJWSNCPIIL-UHFFFAOYSA-N
XLogP4.81
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
3-methyl-5-(4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 169490402
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
CID 53362608
2-[4-[(4-methylphenyl)methoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 53268602
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659171
3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 141093047
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
CID 135435151
2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
CID 139885625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 168796540) is 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1[nH]c2c(c(=O)c1-c1ccc(OCc3ccccc3)cc1)CCCC2.
What is the InChIKey of 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is PWFNUJWSNCPIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-16-22(23(25)20-9-5-6-10-21(20)24-16)18-11-13-19(14-12-18)26-15-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,24,25).
What are the key properties of 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 345.44 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 2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 168796540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).