1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione

C20H21N3O2 — CID 167775992

IUPAC1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(-c2ccc3c(c2)CCNC3)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C20H21N3O2/c1-13-10-14(15-2-3-17-12-21-8-6-16(17)11-15)4-5-18(13)23-9-7-19(24)22-20(23)25/h2-5,10-11,21H,6-9,12H2,1H3,(H,22,24,25)
InChIKeyGRXJWAIBBATQRX-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds2

About 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione

1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 167775992) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID167775992
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(-c2ccc3c(c2)CCNC3)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C20H21N3O2/c1-13-10-14(15-2-3-17-12-21-8-6-16(17)11-15)4-5-18(13)23-9-7-19(24)22-20(23)25/h2-5,10-11,21H,6-9,12H2,1H3,(H,22,24,25)
InChIKeyGRXJWAIBBATQRX-UHFFFAOYSA-N
XLogP2.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nsc158383
CID 292556
1-[(2s,4r)-2-Methyl-4-(Phenylamino)-6-[4-(Piperidin-1-Ylmethyl)phenyl]-3,4-Dihydroquinolin-1(2h)-Yl]ethanone
CID 68161075
N-(2-ethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3869589
6,7-dimethyl-4-methylene-3-phenyl-3,4-dihydro-2(1H)-quinazolinone
CID 899340
N-(2,5-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 23762247
N-(2,4-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 24127759
N-(3,4-dimethylphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818459
4(1H)-Quinazolinone,4-dimethylphenyl)-2,3-dihydro-
CID 292555
1-(3,4-Dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 665424
1',6'-dimethyl-1-(m-tolyl)-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
CID 665844
(Z)-1-allyl-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1931033
N-(4-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 1839030

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione (CID 167775992) is 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione is Cc1cc(-c2ccc3c(c2)CCNC3)ccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is GRXJWAIBBATQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-10-14(15-2-3-17-12-21-8-6-16(17)11-15)4-5-18(13)23-9-7-19(24)22-20(23)25/h2-5,10-11,21H,6-9,12H2,1H3,(H,22,24,25).
What are the key properties of 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione?
1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167775992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).