6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline

C23H18ClNO — CID 101176210

IUPAC6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline
SMILESCc1ccc(-c2cc(COc3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H18ClNO/c1-16-7-9-17(10-8-16)23-13-18(15-26-20-5-3-2-4-6-20)21-14-19(24)11-12-22(21)25-23/h2-14H,15H2,1H3
InChIKeyGHSKUTFGIABFKF-UHFFFAOYSA-N
MW359.86 g/mol
LogP6.44
Rot. Bonds4

About 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline

6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline (PubChem CID 101176210) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline
PubChem CID101176210
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline
SMILESCc1ccc(-c2cc(COc3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H18ClNO/c1-16-7-9-17(10-8-16)23-13-18(15-26-20-5-3-2-4-6-20)21-14-19(24)11-12-22(21)25-23/h2-14H,15H2,1H3
InChIKeyGHSKUTFGIABFKF-UHFFFAOYSA-N
XLogP6.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
4-[[4-(2-amino-6-phenylpyrimidin-4-yl)phenoxy]methyl]-6-chlorochromen-2-one
CID 46702559
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
CID 155387914
6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride
CID 2790572
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
2,3,7,8-tetrakis(phenoxymethyl)phenazine
CID 15048480
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)benzo[f]quinoline;hydrochloride
CID 90485158
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline?
The IUPAC name of 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline (CID 101176210) is 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline is Cc1ccc(-c2cc(COc3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline?
The InChIKey is GHSKUTFGIABFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO/c1-16-7-9-17(10-8-16)23-13-18(15-26-20-5-3-2-4-6-20)21-14-19(24)11-12-22(21)25-23/h2-14H,15H2,1H3.
What are the key properties of 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline?
6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline has a molecular weight of 359.86 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline is sourced from PubChem (CID 101176210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).