(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate

C26H27NO3 — CID 167841189

IUPAC(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
SMILESCc1cc(C(=O)OCc2ccccc2OCc2ccccc2)c2c(c1)C(C)CCN2
InChIInChI=1S/C26H27NO3/c1-18-14-22-19(2)12-13-27-25(22)23(15-18)26(28)30-17-21-10-6-7-11-24(21)29-16-20-8-4-3-5-9-20/h3-11,14-15,19,27H,12-13,16-17H2,1-2H3
InChIKeyKWPNHEZFXBZAMQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.85
Rot. Bonds6

About (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate

(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate (PubChem CID 167841189) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate.

Molecular Properties

Compound Name(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
PubChem CID167841189
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
SMILESCc1cc(C(=O)OCc2ccccc2OCc2ccccc2)c2c(c1)C(C)CCN2
InChIInChI=1S/C26H27NO3/c1-18-14-22-19(2)12-13-27-25(22)23(15-18)26(28)30-17-21-10-6-7-11-24(21)29-16-20-8-4-3-5-9-20/h3-11,14-15,19,27H,12-13,16-17H2,1-2H3
InChIKeyKWPNHEZFXBZAMQ-UHFFFAOYSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134352008
(2-phenylmethoxyphenyl)methyl 3-bromo-2-hydroxybenzoate
CID 167872103
benzyl 6-methyl-4-[2-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844865
benzyl (4R)-6-methyl-4-(2-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41072571
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
benzyl 2-hydroxy-5-methyl-3-phenylbenzoate
CID 59014793
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
2-methylpropyl 6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844371
2-aminoethyl 5-carbamoyl-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
CID 67932000
ethyl (4R)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134345130

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
The IUPAC name of (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate (CID 167841189) is (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate.
What is the SMILES notation for (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
The canonical SMILES for (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate is Cc1cc(C(=O)OCc2ccccc2OCc2ccccc2)c2c(c1)C(C)CCN2.
What is the InChIKey of (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
The InChIKey is KWPNHEZFXBZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-18-14-22-19(2)12-13-27-25(22)23(15-18)26(28)30-17-21-10-6-7-11-24(21)29-16-20-8-4-3-5-9-20/h3-11,14-15,19,27H,12-13,16-17H2,1-2H3.
What are the key properties of (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate is sourced from PubChem (CID 167841189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).