4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide

C19H26N4O2 — CID 110363142

IUPAC4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C19H26N4O2/c1-3-6-20-19(25)23-9-7-22(8-10-23)13-16-12-15-5-4-14(2)11-17(15)21-18(16)24/h4-5,11-12H,3,6-10,13H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyIDVKWIGJGACWPC-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.07
Rot. Bonds4

About 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide

4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110363142) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
PubChem CID110363142
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C19H26N4O2/c1-3-6-20-19(25)23-9-7-22(8-10-23)13-16-12-15-5-4-14(2)11-17(15)21-18(16)24/h4-5,11-12H,3,6-10,13H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyIDVKWIGJGACWPC-UHFFFAOYSA-N
XLogP2.07
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363310
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide (CID 110363142) is 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)CC1.
What is the InChIKey of 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is IDVKWIGJGACWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-6-20-19(25)23-9-7-22(8-10-23)13-16-12-15-5-4-14(2)11-17(15)21-18(16)24/h4-5,11-12H,3,6-10,13H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide?
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110363142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).