4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one

C16H20N4O — CID 102888389

IUPAC4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc(N2CCCN(C)C(=O)C2)c2cc(N)ccc2n1
InChIInChI=1S/C16H20N4O/c1-11-8-15(13-9-12(17)4-5-14(13)18-11)20-7-3-6-19(2)16(21)10-20/h4-5,8-9H,3,6-7,10,17H2,1-2H3
InChIKeyLRDMFZGOOHZNJU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.79
Rot. Bonds1

About 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one

4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888389) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888389
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc(N2CCCN(C)C(=O)C2)c2cc(N)ccc2n1
InChIInChI=1S/C16H20N4O/c1-11-8-15(13-9-12(17)4-5-14(13)18-11)20-7-3-6-19(2)16(21)10-20/h4-5,8-9H,3,6-7,10,17H2,1-2H3
InChIKeyLRDMFZGOOHZNJU-UHFFFAOYSA-N
XLogP1.79
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one (CID 102888389) is 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one is Cc1cc(N2CCCN(C)C(=O)C2)c2cc(N)ccc2n1.
What is the InChIKey of 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is LRDMFZGOOHZNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-8-15(13-9-12(17)4-5-14(13)18-11)20-7-3-6-19(2)16(21)10-20/h4-5,8-9H,3,6-7,10,17H2,1-2H3.
What are the key properties of 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one?
4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-methylquinolin-4-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).