[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol

C32H23Cl3N4O2 — CID 86715665

IUPAC[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol
SMILESCOc1nc2ccc(C(O)(c3cccnc3)c3ccc(Cl)c(Cl)c3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C32H23Cl3N4O2/c1-41-31-26(16-20-5-9-24(10-6-20)39-15-3-14-37-39)30(35)25-17-21(8-12-29(25)38-31)32(40,23-4-2-13-36-19-23)22-7-11-27(33)28(34)18-22/h2-15,17-19,40H,16H2,1H3
InChIKeyLQFGBIOOUDUOQX-UHFFFAOYSA-N
MW601.92 g/mol
LogP7.66
Rot. Bonds7

About [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol

[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol (PubChem CID 86715665) has the molecular formula C32H23Cl3N4O2 and a molecular weight of 601.92 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol
PubChem CID86715665
Molecular FormulaC32H23Cl3N4O2
Molecular Weight601.92 g/mol
Exact Mass600.09
IUPAC Name[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol
SMILESCOc1nc2ccc(C(O)(c3cccnc3)c3ccc(Cl)c(Cl)c3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C32H23Cl3N4O2/c1-41-31-26(16-20-5-9-24(10-6-20)39-15-3-14-37-39)30(35)25-17-21(8-12-29(25)38-31)32(40,23-4-2-13-36-19-23)22-7-11-27(33)28(34)18-22/h2-15,17-19,40H,16H2,1H3
InChIKeyLQFGBIOOUDUOQX-UHFFFAOYSA-N
XLogP7.66
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.92
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol (CID 86715665) is [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol is COc1nc2ccc(C(O)(c3cccnc3)c3ccc(Cl)c(Cl)c3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is LQFGBIOOUDUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Cl3N4O2/c1-41-31-26(16-20-5-9-24(10-6-20)39-15-3-14-37-39)30(35)25-17-21(8-12-29(25)38-31)32(40,23-4-2-13-36-19-23)22-7-11-27(33)28(34)18-22/h2-15,17-19,40H,16H2,1H3.
What are the key properties of [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol?
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 601.92 g/mol, XLogP of 7.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3,4-dichlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 86715665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).