1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea

C28H22N10O2 — CID 69094096

IUPAC1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea
SMILESO=C(Nc1cnccn1)Nc1cccc2cccnc12.O=C(Nc1cnccn1)Nc1nccc2ccccc12
InChIInChI=1S/2C14H11N5O/c20-14(19-12-9-15-7-8-16-12)18-11-5-1-3-10-4-2-6-17-13(10)11;20-14(18-12-9-15-7-8-16-12)19-13-11-4-2-1-3-10(11)5-6-17-13/h1-9H,(H2,16,18,19,20);1-9H,(H2,16,17,18,19,20)
InChIKeyMFKKMEIRZGIDKA-UHFFFAOYSA-N
MW530.55 g/mol
LogP5.34
Rot. Bonds4

About 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea

1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea (PubChem CID 69094096) has the molecular formula C28H22N10O2 and a molecular weight of 530.55 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea
PubChem CID69094096
Molecular FormulaC28H22N10O2
Molecular Weight530.55 g/mol
Exact Mass530.19
IUPAC Name1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea
SMILESO=C(Nc1cnccn1)Nc1cccc2cccnc12.O=C(Nc1cnccn1)Nc1nccc2ccccc12
InChIInChI=1S/2C14H11N5O/c20-14(19-12-9-15-7-8-16-12)18-11-5-1-3-10-4-2-6-17-13(10)11;20-14(18-12-9-15-7-8-16-12)19-13-11-4-2-1-3-10(11)5-6-17-13/h1-9H,(H2,16,18,19,20);1-9H,(H2,16,17,18,19,20)
InChIKeyMFKKMEIRZGIDKA-UHFFFAOYSA-N
XLogP5.34
TPSA159.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.55
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea
CID 24859295
N-pyrazin-2-ylisoquinolin-1-amine
CID 66836772
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea?
The IUPAC name of 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea (CID 69094096) is 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea.
What is the SMILES notation for 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea?
The canonical SMILES for 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea is O=C(Nc1cnccn1)Nc1cccc2cccnc12.O=C(Nc1cnccn1)Nc1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea?
The InChIKey is MFKKMEIRZGIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11N5O/c20-14(19-12-9-15-7-8-16-12)18-11-5-1-3-10-4-2-6-17-13(10)11;20-14(18-12-9-15-7-8-16-12)19-13-11-4-2-1-3-10(11)5-6-17-13/h1-9H,(H2,16,18,19,20);1-9H,(H2,16,17,18,19,20).
What are the key properties of 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea?
1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea has a molecular weight of 530.55 g/mol, XLogP of 5.34, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea is sourced from PubChem (CID 69094096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).