N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide

C24H29N5O — CID 46288008

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2c(-c3ccccc3)nnc3ccccc23)CC1
InChIInChI=1S/C24H29N5O/c1-2-28-15-17-29(18-16-28)14-8-13-25-24(30)22-20-11-6-7-12-21(20)26-27-23(22)19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3,(H,25,30)
InChIKeyWCKRJGXXNYXCFY-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.05
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide (PubChem CID 46288008) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
PubChem CID46288008
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2c(-c3ccccc3)nnc3ccccc23)CC1
InChIInChI=1S/C24H29N5O/c1-2-28-15-17-29(18-16-28)14-8-13-25-24(30)22-20-11-6-7-12-21(20)26-27-23(22)19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3,(H,25,30)
InChIKeyWCKRJGXXNYXCFY-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288142
N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288010
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
CID 46287905
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
N-[[5-(azepan-1-ylmethyl)furan-2-yl]methyl]-3-phenylcinnoline-4-carboxamide
CID 46288077
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 60553437
N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288149
N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531415
5-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78871175
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide (CID 46288008) is N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide is CCN1CCN(CCCNC(=O)c2c(-c3ccccc3)nnc3ccccc23)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
The InChIKey is WCKRJGXXNYXCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-28-15-17-29(18-16-28)14-8-13-25-24(30)22-20-11-6-7-12-21(20)26-27-23(22)19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3,(H,25,30).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46288008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).