7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one

C12H17N3O2 — CID 113287004

IUPAC7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
SMILESCOc1ccc2c(n1)N(C(C)C)CCC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-8(2)15-7-6-10(16)13-9-4-5-11(17-3)14-12(9)15/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyBWSDWJWNFLCLAC-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.65
Rot. Bonds2

About 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one

7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 113287004) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
PubChem CID113287004
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
SMILESCOc1ccc2c(n1)N(C(C)C)CCC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-8(2)15-7-6-10(16)13-9-4-5-11(17-3)14-12(9)15/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyBWSDWJWNFLCLAC-UHFFFAOYSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one with MolForge

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Related Compounds

6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79777955
4,12-dimethoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 115323552
8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
CID 142566889
4-ethyl-6-methoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 115323647
2-(2,5-dimethylpyrrolidin-1-yl)-6-methoxy-3-methylpyridine
CID 20810705
4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 113286554
7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
CID 105356139
7-chloro-5-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 115473848
5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine
CID 115323659
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-methoxy-2,4-dihydro-1H-1,5-naphthyridin-3-one
CID 58200875

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one (CID 113287004) is 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one is COc1ccc2c(n1)N(C(C)C)CCC(=O)N2.
What is the InChIKey of 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is BWSDWJWNFLCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)15-7-6-10(16)13-9-4-5-11(17-3)14-12(9)15/h4-5,8H,6-7H2,1-3H3,(H,13,16).
What are the key properties of 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one?
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 113287004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).