4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide

C22H23N5O2 — CID 90873638

IUPAC4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(CCCc3cccc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C22H23N5O2/c23-18-17-10-3-8-15(19(17)25-26-20(18)21(24)28)7-1-5-14-6-2-9-16(13-14)22(29)27-11-4-12-27/h2-3,6,8-10,13H,1,4-5,7,11-12H2,(H2,23,25)(H2,24,28)
InChIKeyFKFRDXIMJAPHLT-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.33
Rot. Bonds6

About 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide

4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide (PubChem CID 90873638) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide
PubChem CID90873638
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(CCCc3cccc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C22H23N5O2/c23-18-17-10-3-8-15(19(17)25-26-20(18)21(24)28)7-1-5-14-6-2-9-16(13-14)22(29)27-11-4-12-27/h2-3,6,8-10,13H,1,4-5,7,11-12H2,(H2,23,25)(H2,24,28)
InChIKeyFKFRDXIMJAPHLT-UHFFFAOYSA-N
XLogP2.33
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide
CID 90732431
(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride
CID 23162925
4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
CID 23630103
(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone
CID 14012355
3-(azepane-1-carbonyl)benzamide;hexanediamide
CID 66769264
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55840624
4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
CID 91227637

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide (CID 90873638) is 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide is NC(=O)c1nnc2c(CCCc3cccc(C(=O)N4CCC4)c3)cccc2c1N.
What is the InChIKey of 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide?
The InChIKey is FKFRDXIMJAPHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-18-17-10-3-8-15(19(17)25-26-20(18)21(24)28)7-1-5-14-6-2-9-16(13-14)22(29)27-11-4-12-27/h2-3,6,8-10,13H,1,4-5,7,11-12H2,(H2,23,25)(H2,24,28).
What are the key properties of 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide?
4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide is sourced from PubChem (CID 90873638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).