2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide

C19H22N4O2 — CID 31224312

IUPAC2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)N(C)C)cc(-c3cnn(CCO)c3)nc2c1C
InChIInChI=1S/C19H22N4O2/c1-12-5-6-15-16(19(25)22(3)4)9-17(21-18(15)13(12)2)14-10-20-23(11-14)7-8-24/h5-6,9-11,24H,7-8H2,1-4H3
InChIKeyVRHVPLUQVUIHLU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide

2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide (PubChem CID 31224312) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide
PubChem CID31224312
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)N(C)C)cc(-c3cnn(CCO)c3)nc2c1C
InChIInChI=1S/C19H22N4O2/c1-12-5-6-15-16(19(25)22(3)4)9-17(21-18(15)13(12)2)14-10-20-23(11-14)7-8-24/h5-6,9-11,24H,7-8H2,1-4H3
InChIKeyVRHVPLUQVUIHLU-UHFFFAOYSA-N
XLogP2.41
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide?
The IUPAC name of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide (CID 31224312) is 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide?
The canonical SMILES for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide is Cc1ccc2c(C(=O)N(C)C)cc(-c3cnn(CCO)c3)nc2c1C.
What is the InChIKey of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide?
The InChIKey is VRHVPLUQVUIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-5-6-15-16(19(25)22(3)4)9-17(21-18(15)13(12)2)14-10-20-23(11-14)7-8-24/h5-6,9-11,24H,7-8H2,1-4H3.
What are the key properties of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide?
2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-N,N,7,8-tetramethylquinoline-4-carboxamide is sourced from PubChem (CID 31224312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).