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

C19H19FN4O — CID 123474336

IUPAC1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2c(-c3cc(C)ncc3F)ccc(C)c2cn1
InChIInChI=1S/C19H19FN4O/c1-4-21-19(25)24-18-8-14-13(6-5-11(2)16(14)9-23-18)15-7-12(3)22-10-17(15)20/h5-10H,4H2,1-3H3,(H2,21,23,24,25)
InChIKeyBHRAWZGCHCRXKY-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.19
Rot. Bonds3

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

1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea (PubChem CID 123474336) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea
PubChem CID123474336
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2c(-c3cc(C)ncc3F)ccc(C)c2cn1
InChIInChI=1S/C19H19FN4O/c1-4-21-19(25)24-18-8-14-13(6-5-11(2)16(14)9-23-18)15-7-12(3)22-10-17(15)20/h5-10H,4H2,1-3H3,(H2,21,23,24,25)
InChIKeyBHRAWZGCHCRXKY-UHFFFAOYSA-N
XLogP4.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea with MolForge

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Related Compounds

1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea
CID 67448411
1-ethyl-3-[8-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]urea
CID 67452254
methyl N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]-N-methylcarbamate
CID 66576338
N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]-3-methoxypropanamide
CID 66576334
1-ethyl-3-[8-[(6-methyl-2-pyridinyl)amino]-5-pyridin-4-ylisoquinolin-3-yl]urea
CID 67450257
1-ethyl-3-[6-(6-fluoro-3-pyridinyl)-8-methylisoquinolin-3-yl]urea
CID 67449436
3-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]amino]benzoic acid
CID 67450151
[3-(ethylcarbamoylamino)-5-[2-(hydroxymethyl)-4-pyridinyl]isoquinolin-8-yl]methylcarbamic acid
CID 123138368
[5-(2-carbamoyl-4-pyridinyl)-3-(ethylcarbamoylamino)isoquinolin-8-yl]methylcarbamic acid
CID 123246444
1-(6-bromo-8-methylisoquinolin-3-yl)-3-ethylurea
CID 67449451
1-[8-chloro-5-fluoro-6-(4-sulfamoylphenyl)isoquinolin-3-yl]-3-ethylurea
CID 53492484
1-[6-(benzylamino)-8-chloro-5-fluoroisoquinolin-3-yl]-3-ethylurea
CID 67448398

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea (CID 123474336) is 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea is CCNC(=O)Nc1cc2c(-c3cc(C)ncc3F)ccc(C)c2cn1.
What is the InChIKey of 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea?
The InChIKey is BHRAWZGCHCRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-4-21-19(25)24-18-8-14-13(6-5-11(2)16(14)9-23-18)15-7-12(3)22-10-17(15)20/h5-10H,4H2,1-3H3,(H2,21,23,24,25).
What are the key properties of 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea?
1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea has a molecular weight of 338.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea is sourced from PubChem (CID 123474336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).