(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone

C16H20N4O2 — CID 14012355

IUPAC(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone
SMILESCCCc1cccc2c(N)c(C(=O)N3CCOCC3)nnc12
InChIInChI=1S/C16H20N4O2/c1-2-4-11-5-3-6-12-13(17)15(19-18-14(11)12)16(21)20-7-9-22-10-8-20/h3,5-6H,2,4,7-10H2,1H3,(H2,17,18)
InChIKeyVDCJYMCLZRHILN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.64
Rot. Bonds3

About (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone

(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone (PubChem CID 14012355) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone
PubChem CID14012355
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone
SMILESCCCc1cccc2c(N)c(C(=O)N3CCOCC3)nnc12
InChIInChI=1S/C16H20N4O2/c1-2-4-11-5-3-6-12-13(17)15(19-18-14(11)12)16(21)20-7-9-22-10-8-20/h3,5-6H,2,4,7-10H2,1H3,(H2,17,18)
InChIKeyVDCJYMCLZRHILN-UHFFFAOYSA-N
XLogP1.64
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-8-[3-[3-(azetidine-1-carbonyl)phenyl]propyl]cinnoline-3-carboxamide
CID 90873638
4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide
CID 23630103
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281
morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
CID 42690972
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
[6-(ethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 62239087
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
(2-amino-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 135038079
(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 20719419
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115

Frequently Asked Questions

What is the IUPAC name of (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone (CID 14012355) is (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone is CCCc1cccc2c(N)c(C(=O)N3CCOCC3)nnc12.
What is the InChIKey of (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is VDCJYMCLZRHILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-4-11-5-3-6-12-13(17)15(19-18-14(11)12)16(21)20-7-9-22-10-8-20/h3,5-6H,2,4,7-10H2,1H3,(H2,17,18).
What are the key properties of (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone?
(4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 300.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-8-propylcinnolin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 14012355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).