4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide

C20H22N4O — CID 54583334

IUPAC4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N
InChIInChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-9-8-12(2)11-13(14)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyJRCQRBJGHBZPRG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.64
Rot. Bonds4

About 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 54583334) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide
PubChem CID54583334
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N
InChIInChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-9-8-12(2)11-13(14)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyJRCQRBJGHBZPRG-UHFFFAOYSA-N
XLogP3.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide
CID 14012378
4-Amino-8-phenyl-N-propyl-3-cinnolinecarboxamide
CID 14012376
4-amino-8-(2,5-dimethylphenyl)-N-propyl-cinnoline-3-carboxamide
CID 25132065
4-Amino-8-(m-tolyl)-N-propyl-cinnoline-3-carboxamide
CID 25133443
4-amino-8-(2,6-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183555
4-amino-8-(3,5-dimethylphenyl)-N-propylcinnoline-3-carboxamide
CID 25183558
4-amino-8-(2-methylphenyl)-N-propylcinnoline-3-carboxamide
CID 54582352
7-(4-Methylpiperazin-1-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061321
7-(4-Fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061190
7-(2-Fluorophenyl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061401
4-(Ethylamino)-7-(3-fluorophenyl)cinnoline-3-carboxamide
CID 136215314
4-[[(1R)-1-cyclopropylethyl]amino]-7-(2-oxo-1,3-dihydroindol-6-yl)cinnoline-3-carboxamide
CID 71061419

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide (CID 54583334) is 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N.
What is the InChIKey of 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is JRCQRBJGHBZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-9-8-12(2)11-13(14)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25).
What are the key properties of 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,4-dimethylphenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 54583334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).