1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea

C15H20N4O — CID 67448411

IUPAC1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2c(NCC)ccc(C)c2cn1
InChIInChI=1S/C15H20N4O/c1-4-16-13-7-6-10(3)12-9-18-14(8-11(12)13)19-15(20)17-5-2/h6-9,16H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyPSNROKTUTURKBK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.12
Rot. Bonds4

About 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea

1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea (PubChem CID 67448411) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea
PubChem CID67448411
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea
SMILESCCNC(=O)Nc1cc2c(NCC)ccc(C)c2cn1
InChIInChI=1S/C15H20N4O/c1-4-16-13-7-6-10(3)12-9-18-14(8-11(12)13)19-15(20)17-5-2/h6-9,16H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyPSNROKTUTURKBK-UHFFFAOYSA-N
XLogP3.12
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[8-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]urea
CID 67452254
1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea
CID 123474336
1-(6-bromo-8-methylisoquinolin-3-yl)-3-ethylurea
CID 67449451
1-ethyl-3-[8-[(6-methyl-2-pyridinyl)amino]-5-pyridin-4-ylisoquinolin-3-yl]urea
CID 67450257
1-ethyl-3-[8-(3-methylanilino)isoquinolin-3-yl]urea
CID 141308387
1-ethyl-3-[8-(4-methylanilino)isoquinolin-3-yl]urea
CID 141308384
1-ethyl-3-(8-methyl-6-naphthalen-2-ylisoquinolin-3-yl)urea
CID 67449892
1-ethyl-3-[6-(6-fluoro-3-pyridinyl)-8-methylisoquinolin-3-yl]urea
CID 67449436
1-[5-chloro-8-(pyridin-3-ylamino)isoquinolin-3-yl]-3-ethylurea
CID 67450364
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
1-ethyl-3-[8-methyl-6-(pyridin-4-ylmethylamino)isoquinolin-3-yl]urea;hydrochloride
CID 67446869
1-[6-(cyclopropylmethylamino)-8-methylisoquinolin-3-yl]-3-ethylurea
CID 67447951

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea (CID 67448411) is 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea is CCNC(=O)Nc1cc2c(NCC)ccc(C)c2cn1.
What is the InChIKey of 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea?
The InChIKey is PSNROKTUTURKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-16-13-7-6-10(3)12-9-18-14(8-11(12)13)19-15(20)17-5-2/h6-9,16H,4-5H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea?
1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea has a molecular weight of 272.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea is sourced from PubChem (CID 67448411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).