(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride

C17H25ClN4O2 — CID 23162925

IUPAC(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride
SMILESCCCc1cccc2c(N)c(C(=O)N3CCCCC3)nnc12.Cl.O
InChIInChI=1S/C17H22N4O.ClH.H2O/c1-2-7-12-8-6-9-13-14(18)16(20-19-15(12)13)17(22)21-10-4-3-5-11-21;;/h6,8-9H,2-5,7,10-11H2,1H3,(H2,18,19);1H;1H2
InChIKeySBAMHXOIIHEYIQ-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.39
Rot. Bonds3

About (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride

(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride (PubChem CID 23162925) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride.

Molecular Properties

Compound Name(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride
PubChem CID23162925
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride
SMILESCCCc1cccc2c(N)c(C(=O)N3CCCCC3)nnc12.Cl.O
InChIInChI=1S/C17H22N4O.ClH.H2O/c1-2-7-12-8-6-9-13-14(18)16(20-19-15(12)13)17(22)21-10-4-3-5-11-21;;/h6,8-9H,2-5,7,10-11H2,1H3,(H2,18,19);1H;1H2
InChIKeySBAMHXOIIHEYIQ-UHFFFAOYSA-N
XLogP2.39
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone
CID 14012355
4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide
CID 90873638
4-amino-8-[3-[5-(azetidine-1-carbonyl)-3-pyridinyl]propyl]cinnoline-3-carboxamide
CID 90732431
4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
CID 23630103
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
CID 91227637
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
4-(butylamino)-N,8-dipropylcinnoline-3-carboxamide
CID 14012369
(5-amino-3-methylisoquinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 82571966
1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
CID 6625272
(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
CID 82571688

Frequently Asked Questions

What is the IUPAC name of (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride?
The IUPAC name of (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride (CID 23162925) is (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride.
What is the SMILES notation for (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride?
The canonical SMILES for (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride is CCCc1cccc2c(N)c(C(=O)N3CCCCC3)nnc12.Cl.O.
What is the InChIKey of (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride?
The InChIKey is SBAMHXOIIHEYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH.H2O/c1-2-7-12-8-6-9-13-14(18)16(20-19-15(12)13)17(22)21-10-4-3-5-11-21;;/h6,8-9H,2-5,7,10-11H2,1H3,(H2,18,19);1H;1H2.
What are the key properties of (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride?
(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride is sourced from PubChem (CID 23162925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).