(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone

C19H20N4O2 — CID 138023904

IUPAC(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone
SMILESCCc1nc2nccc(C(=O)N3CCOc4c(C)cc(C)cc43)c2[nH]1
InChIInChI=1S/C19H20N4O2/c1-4-15-21-16-13(5-6-20-18(16)22-15)19(24)23-7-8-25-17-12(3)9-11(2)10-14(17)23/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21,22)
InChIKeyNWWABCYEQJPVRR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.18
Rot. Bonds2

About (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone

(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone (PubChem CID 138023904) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone
PubChem CID138023904
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone
SMILESCCc1nc2nccc(C(=O)N3CCOc4c(C)cc(C)cc43)c2[nH]1
InChIInChI=1S/C19H20N4O2/c1-4-15-21-16-13(5-6-20-18(16)22-15)19(24)23-7-8-25-17-12(3)9-11(2)10-14(17)23/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21,22)
InChIKeyNWWABCYEQJPVRR-UHFFFAOYSA-N
XLogP3.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The IUPAC name of (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone (CID 138023904) is (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone.
What is the SMILES notation for (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The canonical SMILES for (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone is CCc1nc2nccc(C(=O)N3CCOc4c(C)cc(C)cc43)c2[nH]1.
What is the InChIKey of (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The InChIKey is NWWABCYEQJPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-15-21-16-13(5-6-20-18(16)22-15)19(24)23-7-8-25-17-12(3)9-11(2)10-14(17)23/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21,22).
What are the key properties of (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone?
(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)methanone is sourced from PubChem (CID 138023904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).