2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one

C19H22N4O2 — CID 25000364

IUPAC2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3N(C)CCN(C)C)oc(=O)c12
InChIInChI=1S/C19H22N4O2/c1-13-7-5-9-15-16(13)19(24)25-18(21-15)14-8-6-10-20-17(14)23(4)12-11-22(2)3/h5-10H,11-12H2,1-4H3
InChIKeyBAQGGLDDJABHRL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one

2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one (PubChem CID 25000364) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one
PubChem CID25000364
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3N(C)CCN(C)C)oc(=O)c12
InChIInChI=1S/C19H22N4O2/c1-13-7-5-9-15-16(13)19(24)25-18(21-15)14-8-6-10-20-17(14)23(4)12-11-22(2)3/h5-10H,11-12H2,1-4H3
InChIKeyBAQGGLDDJABHRL-UHFFFAOYSA-N
XLogP2.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one (CID 25000364) is 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3cccnc3N(C)CCN(C)C)oc(=O)c12.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one?
The InChIKey is BAQGGLDDJABHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-7-5-9-15-16(13)19(24)25-18(21-15)14-8-6-10-20-17(14)23(4)12-11-22(2)3/h5-10H,11-12H2,1-4H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one?
2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one has a molecular weight of 338.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 25000364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).