8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one

C18H22N4O2 — CID 142566969

IUPAC8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
SMILESCN(C)c1ccc2c(n1)N(C)CCN(Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C18H22N4O2/c1-20(2)16-9-8-15-17(19-16)21(3)10-11-22(18(15)24)12-13-4-6-14(23)7-5-13/h4-9,23H,10-12H2,1-3H3
InChIKeyYNTQOQRCSTURFB-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.95
Rot. Bonds3

About 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one

8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one (PubChem CID 142566969) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
PubChem CID142566969
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
SMILESCN(C)c1ccc2c(n1)N(C)CCN(Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C18H22N4O2/c1-20(2)16-9-8-15-17(19-16)21(3)10-11-22(18(15)24)12-13-4-6-14(23)7-5-13/h4-9,23H,10-12H2,1-3H3
InChIKeyYNTQOQRCSTURFB-UHFFFAOYSA-N
XLogP1.95
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one with MolForge

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Related Compounds

4-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
CID 166844019
1-benzyl-4-methylpiperazine-2,3-dione;ethane
CID 142485528
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(2-methoxyethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54683908
11-[(3,4-dichlorophenyl)methyl]-8-hydroxy-5-methyl-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
CID 54692335
3-[4-[(4-methyl-2,3-dioxopiperazin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76980915
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192
2,2-dimethylpropyl-[2-[4-[(9-methyl-2-methylsulfanyl-5-oxo-7,8-dihydropyrimido[4,5-e][1,4]diazepin-6-yl)methyl]phenoxy]-2-phenylethyl]carbamic acid
CID 146401273
4-[[2-chloro-4-[3-(methylamino)propoxy]phenyl]methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
CID 142567021
1-[(3-amino-4-chlorophenyl)methyl]-4-methylpiperazine-2,3-dione
CID 62927376
3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 174354566
[3-[4-[(1-methyl-5-oxo-2,3-dihydropyrido[2,3-e][1,4]diazepin-4-yl)methyl]phenoxy]-3-thiophen-2-ylbutyl] carbamate
CID 155072031
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one?
The IUPAC name of 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one (CID 142566969) is 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one.
What is the SMILES notation for 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one?
The canonical SMILES for 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one is CN(C)c1ccc2c(n1)N(C)CCN(Cc1ccc(O)cc1)C2=O.
What is the InChIKey of 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one?
The InChIKey is YNTQOQRCSTURFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20(2)16-9-8-15-17(19-16)21(3)10-11-22(18(15)24)12-13-4-6-14(23)7-5-13/h4-9,23H,10-12H2,1-3H3.
What are the key properties of 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one?
8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one has a molecular weight of 326.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-4-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one is sourced from PubChem (CID 142566969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).