1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol

C16H20ClN3O — CID 114337790

IUPAC1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCCn1nc(C)c(Cl)c1CN1CCC(O)c2ccccc21
InChIInChI=1S/C16H20ClN3O/c1-3-20-14(16(17)11(2)18-20)10-19-9-8-15(21)12-6-4-5-7-13(12)19/h4-7,15,21H,3,8-10H2,1-2H3
InChIKeyQCIUEZFIRVGBGZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.31
Rot. Bonds3

About 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337790) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337790
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCCn1nc(C)c(Cl)c1CN1CCC(O)c2ccccc21
InChIInChI=1S/C16H20ClN3O/c1-3-20-14(16(17)11(2)18-20)10-19-9-8-15(21)12-6-4-5-7-13(12)19/h4-7,15,21H,3,8-10H2,1-2H3
InChIKeyQCIUEZFIRVGBGZ-UHFFFAOYSA-N
XLogP3.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 114337790) is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol is CCn1nc(C)c(Cl)c1CN1CCC(O)c2ccccc21.
What is the InChIKey of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is QCIUEZFIRVGBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-20-14(16(17)11(2)18-20)10-19-9-8-15(21)12-6-4-5-7-13(12)19/h4-7,15,21H,3,8-10H2,1-2H3.
What are the key properties of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 305.81 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).