[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol

C22H25ClN2O2 — CID 118022495

IUPAC[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol
SMILESCOc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C22H25ClN2O2/c1-12(2)10-18-20(23)17-11-15(7-9-19(17)25-22(18)27-5)21(26)16-8-6-13(3)24-14(16)4/h6-9,11-12,21,26H,10H2,1-5H3
InChIKeyMHRYUYMMNXWYEO-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.19
Rot. Bonds5

About [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol

[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol (PubChem CID 118022495) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol
PubChem CID118022495
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol
SMILESCOc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1CC(C)C
InChIInChI=1S/C22H25ClN2O2/c1-12(2)10-18-20(23)17-11-15(7-9-19(17)25-22(18)27-5)21(26)16-8-6-13(3)24-14(16)4/h6-9,11-12,21,26H,10H2,1-5H3
InChIKeyMHRYUYMMNXWYEO-UHFFFAOYSA-N
XLogP5.19
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol?
The IUPAC name of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol (CID 118022495) is [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol.
What is the SMILES notation for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol?
The canonical SMILES for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol is COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1CC(C)C.
What is the InChIKey of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol?
The InChIKey is MHRYUYMMNXWYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-12(2)10-18-20(23)17-11-15(7-9-19(17)25-22(18)27-5)21(26)16-8-6-13(3)24-14(16)4/h6-9,11-12,21,26H,10H2,1-5H3.
What are the key properties of [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol?
[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol has a molecular weight of 384.91 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol is sourced from PubChem (CID 118022495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).