8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one

C10H13N3O2 — CID 142566889

IUPAC8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
SMILESCOc1ccc2c(n1)N(C)CCNC2=O
InChIInChI=1S/C10H13N3O2/c1-13-6-5-11-10(14)7-3-4-8(15-2)12-9(7)13/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyMSWGGGHTRONMLH-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.27
Rot. Bonds1

About 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one

8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one (PubChem CID 142566889) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
PubChem CID142566889
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
SMILESCOc1ccc2c(n1)N(C)CCNC2=O
InChIInChI=1S/C10H13N3O2/c1-13-6-5-11-10(14)7-3-4-8(15-2)12-9(7)13/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyMSWGGGHTRONMLH-UHFFFAOYSA-N
XLogP0.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
CID 142566943
4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 113286554
4-ethyl-6-methoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 115323647
4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
CID 20872210
7-methoxy-3,4-dihydro-2H-pyrido[2,3-f][1,4]thiazepin-5-one
CID 121455213
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 113287004
5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine
CID 115323659
13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one
CID 67814096
9-methoxy-1-methyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one
CID 512550
7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]
CID 115323681
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The IUPAC name of 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one (CID 142566889) is 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one.
What is the SMILES notation for 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The canonical SMILES for 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one is COc1ccc2c(n1)N(C)CCNC2=O.
What is the InChIKey of 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The InChIKey is MSWGGGHTRONMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13-6-5-11-10(14)7-3-4-8(15-2)12-9(7)13/h3-4H,5-6H2,1-2H3,(H,11,14).
What are the key properties of 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one has a molecular weight of 207.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one is sourced from PubChem (CID 142566889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).