4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile

C20H13N5O — CID 46831749

IUPAC4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nccc(Oc3ccc4cccnc4c3)n2)cc1
InChIInChI=1S/C20H13N5O/c21-13-14-3-6-16(7-4-14)24-20-23-11-9-19(25-20)26-17-8-5-15-2-1-10-22-18(15)12-17/h1-12H,(H,23,24,25)
InChIKeyKWRVBJACKBSAKY-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.43
Rot. Bonds4

About 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile

4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile (PubChem CID 46831749) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile
PubChem CID46831749
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nccc(Oc3ccc4cccnc4c3)n2)cc1
InChIInChI=1S/C20H13N5O/c21-13-14-3-6-16(7-4-14)24-20-23-11-9-19(25-20)26-17-8-5-15-2-1-10-22-18(15)12-17/h1-12H,(H,23,24,25)
InChIKeyKWRVBJACKBSAKY-UHFFFAOYSA-N
XLogP4.43
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(6-bromonaphthalen-2-yl)oxypyrimidin-2-yl]amino]benzonitrile
CID 25115206
4-[4-[2-(4-cyanoanilino)pyrimidin-4-yl]oxy-2-(trifluoromethyl)phenyl]benzonitrile
CID 155566782
4-[[4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 71740451
4-[[4-(2-fluorophenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 155526389
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
4-[[4-[(1-phenylmethoxyimino-2,3-dihydroinden-5-yl)oxy]pyrimidin-2-yl]amino]benzonitrile
CID 76579643
4-[4-[2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]benzonitrile
CID 155561673
4-[cyano-[2-(4-cyanoanilino)pyrimidin-4-yl]methyl]benzonitrile
CID 155924359
(6-quinolin-7-yloxy-2-pyridinyl)hydrazine
CID 107315935
2-amino-4-quinolin-7-yloxybenzonitrile
CID 107313214
2-methyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315849
4-[(4-formylpyrimidin-2-yl)amino]benzonitrile
CID 175239360

Frequently Asked Questions

What is the IUPAC name of 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile (CID 46831749) is 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile is N#Cc1ccc(Nc2nccc(Oc3ccc4cccnc4c3)n2)cc1.
What is the InChIKey of 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile?
The InChIKey is KWRVBJACKBSAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-13-14-3-6-16(7-4-14)24-20-23-11-9-19(25-20)26-17-8-5-15-2-1-10-22-18(15)12-17/h1-12H,(H,23,24,25).
What are the key properties of 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile?
4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile has a molecular weight of 339.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-quinolin-7-yloxypyrimidin-2-yl)amino]benzonitrile is sourced from PubChem (CID 46831749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).