(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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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).