[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea

C19H21N3O4 — CID 26284086

IUPAC[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cccc(NC(N)=O)c1)CC2
InChIInChI=1S/C19H21N3O4/c1-25-16-9-12-6-7-22(11-14(12)10-17(16)26-2)18(23)13-4-3-5-15(8-13)21-19(20)24/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,24)
InChIKeyZIXWVDLOHNTPFI-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.39
Rot. Bonds4

About [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea

[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea (PubChem CID 26284086) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea.

Molecular Properties

Compound Name[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea
PubChem CID26284086
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cccc(NC(N)=O)c1)CC2
InChIInChI=1S/C19H21N3O4/c1-25-16-9-12-6-7-22(11-14(12)10-17(16)26-2)18(23)13-4-3-5-15(8-13)21-19(20)24/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,24)
InChIKeyZIXWVDLOHNTPFI-UHFFFAOYSA-N
XLogP2.39
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea with MolForge

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Related Compounds

methyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoate
CID 55754615
methyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate
CID 4997667
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(methoxymethyl)phenyl]methanone
CID 38209435
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 38408399
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide
CID 71898676
6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27869928
[4-(aminomethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119266159
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-ethoxy-4-methoxyphenyl)methanone
CID 38409242
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-quinoxalin-6-ylmethanone
CID 110690549

Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea?
The IUPAC name of [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea (CID 26284086) is [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea.
What is the SMILES notation for [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea?
The canonical SMILES for [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea is COc1cc2c(cc1OC)CN(C(=O)c1cccc(NC(N)=O)c1)CC2.
What is the InChIKey of [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea?
The InChIKey is ZIXWVDLOHNTPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-25-16-9-12-6-7-22(11-14(12)10-17(16)26-2)18(23)13-4-3-5-15(8-13)21-19(20)24/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,24).
What are the key properties of [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea?
[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea has a molecular weight of 355.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea is sourced from PubChem (CID 26284086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).