1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride

C19H22ClN5O — CID 67446869

IUPAC1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride
SMILESCCNC(=O)Nc1cc2cc(NCc3ccncc3)cc(C)c2cn1.Cl
InChIInChI=1S/C19H21N5O.ClH/c1-3-21-19(25)24-18-10-15-9-16(8-13(2)17(15)12-23-18)22-11-14-4-6-20-7-5-14;/h4-10,12,22H,3,11H2,1-2H3,(H2,21,23,24,25);1H
InChIKeyIFKIGVFZCQHBSB-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.11
Rot. Bonds5

About 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride

1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride (PubChem CID 67446869) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride
PubChem CID67446869
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride
SMILESCCNC(=O)Nc1cc2cc(NCc3ccncc3)cc(C)c2cn1.Cl
InChIInChI=1S/C19H21N5O.ClH/c1-3-21-19(25)24-18-10-15-9-16(8-13(2)17(15)12-23-18)22-11-14-4-6-20-7-5-14;/h4-10,12,22H,3,11H2,1-2H3,(H2,21,23,24,25);1H
InChIKeyIFKIGVFZCQHBSB-UHFFFAOYSA-N
XLogP4.11
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride with MolForge

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Related Compounds

1-ethyl-3-[6-[(3-methoxyphenyl)methylamino]-8-methylisoquinolin-3-yl]urea
CID 67448151
1-[6-(cyclopropylmethylamino)-8-methylisoquinolin-3-yl]-3-ethylurea
CID 67447951
1-(6-bromo-8-methylisoquinolin-3-yl)-3-ethylurea
CID 67449451
1-ethyl-3-[6-(6-fluoro-3-pyridinyl)-8-methylisoquinolin-3-yl]urea
CID 67449436
1-ethyl-3-(8-methyl-6-naphthalen-2-ylisoquinolin-3-yl)urea
CID 67449892
1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730758
1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea
CID 67448411
1-ethyl-3-[8-[(2-methyl-3-pyridinyl)oxymethyl]isoquinolin-3-yl]urea;hydrochloride
CID 67449709
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
1-[6-[benzyl(triazol-1-yl)amino]-8-methylisoquinolin-3-yl]-3-ethylurea
CID 123663504
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]acetamide
CID 66576105
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 71555314

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride?
The IUPAC name of 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride (CID 67446869) is 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride.
What is the SMILES notation for 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride?
The canonical SMILES for 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride is CCNC(=O)Nc1cc2cc(NCc3ccncc3)cc(C)c2cn1.Cl.
What is the InChIKey of 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride?
The InChIKey is IFKIGVFZCQHBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.ClH/c1-3-21-19(25)24-18-10-15-9-16(8-13(2)17(15)12-23-18)22-11-14-4-6-20-7-5-14;/h4-10,12,22H,3,11H2,1-2H3,(H2,21,23,24,25);1H.
What are the key properties of 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride?
1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride is sourced from PubChem (CID 67446869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).