(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol

C17H14ClNO — CID 115827163

IUPAC(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
SMILESCc1ccc(C(O)c2ccc3cccnc3c2)cc1Cl
InChIInChI=1S/C17H14ClNO/c1-11-4-5-13(9-15(11)18)17(20)14-7-6-12-3-2-8-19-16(12)10-14/h2-10,17,20H,1H3
InChIKeyVOMJQANXNHHMRC-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.28
Rot. Bonds2

About (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol

(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol (PubChem CID 115827163) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
PubChem CID115827163
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
SMILESCc1ccc(C(O)c2ccc3cccnc3c2)cc1Cl
InChIInChI=1S/C17H14ClNO/c1-11-4-5-13(9-15(11)18)17(20)14-7-6-12-3-2-8-19-16(12)10-14/h2-10,17,20H,1H3
InChIKeyVOMJQANXNHHMRC-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
CID 81198121
(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
CID 107560175
(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
CID 115827006
(4-methylsulfanylphenyl)-quinolin-7-ylmethanol
CID 115827020
(4-methyl-2-pyridinyl)-quinolin-7-ylmethanol
CID 81220437
[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327312
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
furan-2-yl(quinolin-7-yl)methanol
CID 81216478
(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
(3-chloro-2-pyridinyl)-quinolin-7-ylmethanamine
CID 103443918
quinolin-7-yl(1,3-thiazol-4-yl)methanol
CID 81220836

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol?
The IUPAC name of (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol (CID 115827163) is (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol is Cc1ccc(C(O)c2ccc3cccnc3c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol?
The InChIKey is VOMJQANXNHHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-4-5-13(9-15(11)18)17(20)14-7-6-12-3-2-8-19-16(12)10-14/h2-10,17,20H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol?
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol has a molecular weight of 283.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-quinolin-7-ylmethanol is sourced from PubChem (CID 115827163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).