N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

C22H27N5O2 — CID 19512877

IUPACN-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C22H27N5O2/c1-15-21(16(2)26(3)25-15)20-14-18(17-6-4-5-7-19(17)24-20)22(28)23-8-9-27-10-12-29-13-11-27/h4-7,14H,8-13H2,1-3H3,(H,23,28)
InChIKeyPXBKDEZTXYYGRZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.31
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512877) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512877
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C22H27N5O2/c1-15-21(16(2)26(3)25-15)20-14-18(17-6-4-5-7-19(17)24-20)22(28)23-8-9-27-10-12-29-13-11-27/h4-7,14H,8-13H2,1-3H3,(H,23,28)
InChIKeyPXBKDEZTXYYGRZ-UHFFFAOYSA-N
XLogP2.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512734
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512890
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512877) is N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCCN2CCOCC2)c2ccccc2n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is PXBKDEZTXYYGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-21(16(2)26(3)25-15)20-14-18(17-6-4-5-7-19(17)24-20)22(28)23-8-9-27-10-12-29-13-11-27/h4-7,14H,8-13H2,1-3H3,(H,23,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).