1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea

C15H10F3N5O — CID 24858859

IUPAC1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea
SMILESO=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)9-1-2-11-10(7-9)12(3-4-20-11)22-14(24)23-13-8-19-5-6-21-13/h1-8H,(H2,20,21,22,23,24)
InChIKeyGHAZVJQMLWOQLP-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.69
Rot. Bonds2

About 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea

1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea (PubChem CID 24858859) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea.

Molecular Properties

Compound Name1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea
PubChem CID24858859
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC Name1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea
SMILESO=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)9-1-2-11-10(7-9)12(3-4-20-11)22-14(24)23-13-8-19-5-6-21-13/h1-8H,(H2,20,21,22,23,24)
InChIKeyGHAZVJQMLWOQLP-UHFFFAOYSA-N
XLogP3.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 51358113
Ngd-8243
CID 11247522
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
(2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]-N-(quinolin-7-yl)prop-2-enamide
CID 11487127
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
4-Anilino quinazoline deriv. 18
CID 5328017
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328058
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
The IUPAC name of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea (CID 24858859) is 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea.
What is the SMILES notation for 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
The canonical SMILES for 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea is O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
The InChIKey is GHAZVJQMLWOQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)9-1-2-11-10(7-9)12(3-4-20-11)22-14(24)23-13-8-19-5-6-21-13/h1-8H,(H2,20,21,22,23,24).
What are the key properties of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea has a molecular weight of 333.27 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea is sourced from PubChem (CID 24858859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).