N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C23H30N4O — CID 120983084

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc4c3CCCN4)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-2-26-13-15-27(16-14-26)17-18-8-10-19(11-9-18)25-23(28)21-5-3-7-22-20(21)6-4-12-24-22/h3,5,7-11,24H,2,4,6,12-17H2,1H3,(H,25,28)
InChIKeyFVSGMTPNYIOEGI-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.43
Rot. Bonds5

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 120983084) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID120983084
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc4c3CCCN4)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-2-26-13-15-27(16-14-26)17-18-8-10-19(11-9-18)25-23(28)21-5-3-7-22-20(21)6-4-12-24-22/h3,5,7-11,24H,2,4,6,12-17H2,1H3,(H,25,28)
InChIKeyFVSGMTPNYIOEGI-UHFFFAOYSA-N
XLogP3.43
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide with MolForge

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Related Compounds

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 120983080
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
CID 120983099
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55842498
N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107463094
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 120983084) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3cccc4c3CCCN4)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is FVSGMTPNYIOEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-26-13-15-27(16-14-26)17-18-8-10-19(11-9-18)25-23(28)21-5-3-7-22-20(21)6-4-12-24-22/h3,5,7-11,24H,2,4,6,12-17H2,1H3,(H,25,28).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 120983084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).