4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide

C19H22N6O — CID 72853474

IUPAC4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide
SMILESCn1ccnc1CN1CCN(C(=O)Nc2cccc3ncccc23)CC1
InChIInChI=1S/C19H22N6O/c1-23-9-8-21-18(23)14-24-10-12-25(13-11-24)19(26)22-17-6-2-5-16-15(17)4-3-7-20-16/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyGCVNPGQUUBZWTM-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.32
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide

4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide (PubChem CID 72853474) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide
PubChem CID72853474
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide
SMILESCn1ccnc1CN1CCN(C(=O)Nc2cccc3ncccc23)CC1
InChIInChI=1S/C19H22N6O/c1-23-9-8-21-18(23)14-24-10-12-25(13-11-24)19(26)22-17-6-2-5-16-15(17)4-3-7-20-16/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyGCVNPGQUUBZWTM-UHFFFAOYSA-N
XLogP2.32
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-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

N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3710390
2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
CID 55736145
4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
CID 72841424
N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 118793204
N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691849
4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 118792501
ethyl 2-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]amino]phenyl]acetate
CID 72841656
N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 72933011
1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 90649454
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
CID 30297224

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide (CID 72853474) is 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide is Cn1ccnc1CN1CCN(C(=O)Nc2cccc3ncccc23)CC1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide?
The InChIKey is GCVNPGQUUBZWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23-9-8-21-18(23)14-24-10-12-25(13-11-24)19(26)22-17-6-2-5-16-15(17)4-3-7-20-16/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide?
4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide is sourced from PubChem (CID 72853474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).