6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline

C16H20ClN3O — CID 114662267

IUPAC6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOCCn1ncc(Cl)c1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H20ClN3O/c1-21-8-7-20-16(14(17)11-19-20)10-12-4-5-15-13(9-12)3-2-6-18-15/h4-5,9,11,18H,2-3,6-8,10H2,1H3
InChIKeyZLRSPYWMGQWPOQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.13
Rot. Bonds5

About 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline

6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114662267) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114662267
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOCCn1ncc(Cl)c1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H20ClN3O/c1-21-8-7-20-16(14(17)11-19-20)10-12-4-5-15-13(9-12)3-2-6-18-15/h4-5,9,11,18H,2-3,6-8,10H2,1H3
InChIKeyZLRSPYWMGQWPOQ-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline (CID 114662267) is 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline is COCCn1ncc(Cl)c1Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZLRSPYWMGQWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-21-8-7-20-16(14(17)11-19-20)10-12-4-5-15-13(9-12)3-2-6-18-15/h4-5,9,11,18H,2-3,6-8,10H2,1H3.
What are the key properties of 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 305.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114662267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).