4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide

C22H23N5O2 — CID 23630103

IUPAC4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C22H23N5O2/c1-2-10-24-21(28)20-18(23)17-9-4-8-16(19(17)25-26-20)14-6-3-7-15(13-14)22(29)27-11-5-12-27/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,23,25)(H,24,28)
InChIKeyGBYWXUWYLRYFKH-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.86
Rot. Bonds5

About 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide

4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide (PubChem CID 23630103) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
PubChem CID23630103
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C(=O)N4CCC4)c3)cccc2c1N
InChIInChI=1S/C22H23N5O2/c1-2-10-24-21(28)20-18(23)17-9-4-8-16(19(17)25-26-20)14-6-3-7-15(13-14)22(29)27-11-5-12-27/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,23,25)(H,24,28)
InChIKeyGBYWXUWYLRYFKH-UHFFFAOYSA-N
XLogP2.86
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
CID 23630140
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
4-(aminodiazenyl)-8-[5-(azetidine-1-carbonyl)-3-pyridinyl]-N-butylcinnoline-3-carboxamide
CID 71190609
4-amino-N-propyl-8-pyrazin-2-ylcinnoline-3-carboxamide
CID 25132066
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 23630142
4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide
CID 90873638
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride
CID 23162925
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 119069105

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide (CID 23630103) is 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cccc(C(=O)N4CCC4)c3)cccc2c1N.
What is the InChIKey of 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide?
The InChIKey is GBYWXUWYLRYFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-10-24-21(28)20-18(23)17-9-4-8-16(19(17)25-26-20)14-6-3-7-15(13-14)22(29)27-11-5-12-27/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,23,25)(H,24,28).
What are the key properties of 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide?
4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 23630103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).