4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione

C16H15N3O3 — CID 102432545

IUPAC4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione
SMILESCOc1ccc(CN2CC(=O)Nc3cccnc3C2=O)cc1
InChIInChI=1S/C16H15N3O3/c1-22-12-6-4-11(5-7-12)9-19-10-14(20)18-13-3-2-8-17-15(13)16(19)21/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyQTOXYXUDPQBZST-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.68
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione

4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione (PubChem CID 102432545) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione
PubChem CID102432545
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione
SMILESCOc1ccc(CN2CC(=O)Nc3cccnc3C2=O)cc1
InChIInChI=1S/C16H15N3O3/c1-22-12-6-4-11(5-7-12)9-19-10-14(20)18-13-3-2-8-17-15(13)16(19)21/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyQTOXYXUDPQBZST-UHFFFAOYSA-N
XLogP1.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one
CID 175229386
8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
CID 102119190
4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 81145854
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879086
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
(4R)-4-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7387770
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione (CID 102432545) is 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione is COc1ccc(CN2CC(=O)Nc3cccnc3C2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione?
The InChIKey is QTOXYXUDPQBZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-12-6-4-11(5-7-12)9-19-10-14(20)18-13-3-2-8-17-15(13)16(19)21/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione?
4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione has a molecular weight of 297.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione is sourced from PubChem (CID 102432545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).