N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide

C19H22N4O — CID 31135400

IUPACN,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCCn1cc(-c2cc(C(=O)N(C)C)c3cccc(C)c3n2)cn1
InChIInChI=1S/C19H22N4O/c1-5-9-23-12-14(11-20-23)17-10-16(19(24)22(3)4)15-8-6-7-13(2)18(15)21-17/h6-8,10-12H,5,9H2,1-4H3
InChIKeyBBFAZJYFQUTIKT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.52
Rot. Bonds4

About N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide

N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 31135400) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID31135400
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCCn1cc(-c2cc(C(=O)N(C)C)c3cccc(C)c3n2)cn1
InChIInChI=1S/C19H22N4O/c1-5-9-23-12-14(11-20-23)17-10-16(19(24)22(3)4)15-8-6-7-13(2)18(15)21-17/h6-8,10-12H,5,9H2,1-4H3
InChIKeyBBFAZJYFQUTIKT-UHFFFAOYSA-N
XLogP3.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide (CID 31135400) is N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide is CCCn1cc(-c2cc(C(=O)N(C)C)c3cccc(C)c3n2)cn1.
What is the InChIKey of N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is BBFAZJYFQUTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-5-9-23-12-14(11-20-23)17-10-16(19(24)22(3)4)15-8-6-7-13(2)18(15)21-17/h6-8,10-12H,5,9H2,1-4H3.
What are the key properties of N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide?
N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,8-trimethyl-2-(1-propylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 31135400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).