4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide

C20H28N4O2 — CID 110363310

IUPAC4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cc3cc(CC)ccc3[nH]c2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-3-7-21-20(26)24-10-8-23(9-11-24)14-17-13-16-12-15(4-2)5-6-18(16)22-19(17)25/h5-6,12-13H,3-4,7-11,14H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyRHWYEIGTCRAYQQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.33
Rot. Bonds5

About 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide

4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110363310) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
PubChem CID110363310
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cc3cc(CC)ccc3[nH]c2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-3-7-21-20(26)24-10-8-23(9-11-24)14-17-13-16-12-15(4-2)5-6-18(16)22-19(17)25/h5-6,12-13H,3-4,7-11,14H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyRHWYEIGTCRAYQQ-UHFFFAOYSA-N
XLogP2.33
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-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

6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363280
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110748813
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
CID 3169171
3-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110362987
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide (CID 110363310) is 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2cc3cc(CC)ccc3[nH]c2=O)CC1.
What is the InChIKey of 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is RHWYEIGTCRAYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-7-21-20(26)24-10-8-23(9-11-24)14-17-13-16-12-15(4-2)5-6-18(16)22-19(17)25/h5-6,12-13H,3-4,7-11,14H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110363310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).