6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide

C24H29N5O — CID 46288142

IUPAC6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
SMILESCc1ccc2nnc(-c3ccccc3)c(C(=O)NCCCN3CCN(C)CC3)c2c1
InChIInChI=1S/C24H29N5O/c1-18-9-10-21-20(17-18)22(23(27-26-21)19-7-4-3-5-8-19)24(30)25-11-6-12-29-15-13-28(2)14-16-29/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,25,30)
InChIKeyZIQGHRPKEFJWOW-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.97
Rot. Bonds6

About 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide

6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide (PubChem CID 46288142) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
PubChem CID46288142
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
SMILESCc1ccc2nnc(-c3ccccc3)c(C(=O)NCCCN3CCN(C)CC3)c2c1
InChIInChI=1S/C24H29N5O/c1-18-9-10-21-20(17-18)22(23(27-26-21)19-7-4-3-5-8-19)24(30)25-11-6-12-29-15-13-28(2)14-16-29/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,25,30)
InChIKeyZIQGHRPKEFJWOW-UHFFFAOYSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.97
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

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288008
N-(3-ethoxypropyl)-6-methyl-3-phenylcinnoline-4-carboxamide
CID 46288149
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
CID 46288120
4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
CID 10828011
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46963375
6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
CID 3829399

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
The IUPAC name of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide (CID 46288142) is 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide is Cc1ccc2nnc(-c3ccccc3)c(C(=O)NCCCN3CCN(C)CC3)c2c1.
What is the InChIKey of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
The InChIKey is ZIQGHRPKEFJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-18-9-10-21-20(17-18)22(23(27-26-21)19-7-4-3-5-8-19)24(30)25-11-6-12-29-15-13-28(2)14-16-29/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,25,30).
What are the key properties of 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide?
6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide is sourced from PubChem (CID 46288142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).