1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea

C19H20N4O — CID 67448852

IUPAC1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(C)c2cn1
InChIInChI=1S/C19H20N4O/c1-4-20-19(24)23-18-10-16-15(14-7-8-21-13(3)9-14)6-5-12(2)17(16)11-22-18/h5-11H,4H2,1-3H3,(H2,20,22,23,24)
InChIKeyITGDBTWKMCUOIO-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.06
Rot. Bonds3

About 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea

1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea (PubChem CID 67448852) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea
PubChem CID67448852
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(C)c2cn1
InChIInChI=1S/C19H20N4O/c1-4-20-19(24)23-18-10-16-15(14-7-8-21-13(3)9-14)6-5-12(2)17(16)11-22-18/h5-11H,4H2,1-3H3,(H2,20,22,23,24)
InChIKeyITGDBTWKMCUOIO-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-3009120
CID 71721540
Isoquinoline, 1-amino-3-(2-pyridyl)-
CID 217000
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
1-[2-Amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328117
3-Tert-butyl-1-(2-{[3-(diethylamino)propyl]amino}-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea
CID 5328119
1-[2-Amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328125
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-[2-Amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329118
1-[2-Amino-6-(2,3-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329120
1-[2-Amino-6-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329122
N-{7-[4-(Dimethylamino)phenyl]-1,6-Naphthyridin-5-Yl}propane-1,3-Diamine
CID 9818573
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea (CID 67448852) is 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea is CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(C)c2cn1.
What is the InChIKey of 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea?
The InChIKey is ITGDBTWKMCUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-4-20-19(24)23-18-10-16-15(14-7-8-21-13(3)9-14)6-5-12(2)17(16)11-22-18/h5-11H,4H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea?
1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea has a molecular weight of 320.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[8-methyl-5-(2-methyl-4-pyridinyl)isoquinolin-3-yl]urea is sourced from PubChem (CID 67448852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).