1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea

C19H21Cl2N3O — CID 10293024

IUPAC1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C19H21Cl2N3O/c1-3-22-19(25)23-14-6-4-5-12(7-14)16-10-24(2)11-17-15(16)8-13(20)9-18(17)21/h4-9,16H,3,10-11H2,1-2H3,(H2,22,23,25)
InChIKeyFPRVCASHSFEVJD-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.71
Rot. Bonds3

About 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea

1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea (PubChem CID 10293024) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea
PubChem CID10293024
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C19H21Cl2N3O/c1-3-22-19(25)23-14-6-4-5-12(7-14)16-10-24(2)11-17-15(16)8-13(20)9-18(17)21/h4-9,16H,3,10-11H2,1-2H3,(H2,22,23,25)
InChIKeyFPRVCASHSFEVJD-UHFFFAOYSA-N
XLogP4.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea with MolForge

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Related Compounds

N-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 594820
7-Amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-2-one
CID 22647927
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
CID 23532793
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-(4-chlorophenyl)-N'-[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]urea
CID 2214231
N-{[1-(3-chlorobenzyl)piperidin-4-yl]methyl}-N'-(4-chlorophenyl)urea
CID 6625088
N-{[1-(3-chlorobenzyl)piperidin-4-yl]methyl}-N'-(3-chloro-4-methylphenyl)urea
CID 15989508
N-(4-chlorophenyl)-N'-{[1-(2,5-dimethylbenzyl)piperidin-4-yl]methyl}urea
CID 22430352
1-[[4-[4-(3-Chlorophenyl)phenyl]-1-methylpiperidin-4-yl]methyl]-3-(3,5-dichlorophenyl)urea
CID 10164110
1-(3,5-Dichloro-phenyl)-3-(1-methyl-4-p-tolyl-piperidin-4-ylmethyl)-urea
CID 20779426
6-chloro-4-ethyl-3-methyl-4-phenyl-1H-quinazolin-2-one
CID 21755277
1-{3-[4-(4-Chloro-benzyl)-piperidin-1-yl]-propyl}-3-(3-cyano-phenyl)-urea
CID 22393339

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea?
The IUPAC name of 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea (CID 10293024) is 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea?
The canonical SMILES for 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea is CCNC(=O)Nc1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea?
The InChIKey is FPRVCASHSFEVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-3-22-19(25)23-14-6-4-5-12(7-14)16-10-24(2)11-17-15(16)8-13(20)9-18(17)21/h4-9,16H,3,10-11H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea?
1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea has a molecular weight of 378.30 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-ethylurea is sourced from PubChem (CID 10293024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).