4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline

C17H18ClN3O — CID 68948775

IUPAC4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline
SMILESCCCc1[nH]ncc1-c1cc(Cl)c2ccc(OC)c(C)c2n1
InChIInChI=1S/C17H18ClN3O/c1-4-5-14-12(9-19-21-14)15-8-13(18)11-6-7-16(22-3)10(2)17(11)20-15/h6-9H,4-5H2,1-3H3,(H,19,21)
InChIKeyUGDQEAZMXZNSMQ-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline

4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline (PubChem CID 68948775) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline
PubChem CID68948775
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline
SMILESCCCc1[nH]ncc1-c1cc(Cl)c2ccc(OC)c(C)c2n1
InChIInChI=1S/C17H18ClN3O/c1-4-5-14-12(9-19-21-14)15-8-13(18)11-6-7-16(22-3)10(2)17(11)20-15/h6-9H,4-5H2,1-3H3,(H,19,21)
InChIKeyUGDQEAZMXZNSMQ-UHFFFAOYSA-N
XLogP4.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline?
The IUPAC name of 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline (CID 68948775) is 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline is CCCc1[nH]ncc1-c1cc(Cl)c2ccc(OC)c(C)c2n1.
What is the InChIKey of 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline?
The InChIKey is UGDQEAZMXZNSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-4-5-14-12(9-19-21-14)15-8-13(18)11-6-7-16(22-3)10(2)17(11)20-15/h6-9H,4-5H2,1-3H3,(H,19,21).
What are the key properties of 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline?
4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline has a molecular weight of 315.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-8-methyl-2-(5-propyl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 68948775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).