2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile

C18H11ClN4O — CID 27306086

IUPAC2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile
SMILESCc1nn2c(nc(Oc3ccccc3C#N)c3ccccc32)c1Cl
InChIInChI=1S/C18H11ClN4O/c1-11-16(19)17-21-18(24-15-9-5-2-6-12(15)10-20)13-7-3-4-8-14(13)23(17)22-11/h2-9H,1H3
InChIKeyNVAKJLYKJCQGLF-UHFFFAOYSA-N
MW334.77 g/mol
LogP4.51
Rot. Bonds2

About 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile

2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile (PubChem CID 27306086) has the molecular formula C18H11ClN4O and a molecular weight of 334.77 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile
PubChem CID27306086
Molecular FormulaC18H11ClN4O
Molecular Weight334.77 g/mol
Exact Mass334.06
IUPAC Name2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile
SMILESCc1nn2c(nc(Oc3ccccc3C#N)c3ccccc32)c1Cl
InChIInChI=1S/C18H11ClN4O/c1-11-16(19)17-21-18(24-15-9-5-2-6-12(15)10-20)13-7-3-4-8-14(13)23(17)22-11/h2-9H,1H3
InChIKeyNVAKJLYKJCQGLF-UHFFFAOYSA-N
XLogP4.51
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile?
The IUPAC name of 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile (CID 27306086) is 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile.
What is the SMILES notation for 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile?
The canonical SMILES for 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile is Cc1nn2c(nc(Oc3ccccc3C#N)c3ccccc32)c1Cl.
What is the InChIKey of 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile?
The InChIKey is NVAKJLYKJCQGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O/c1-11-16(19)17-21-18(24-15-9-5-2-6-12(15)10-20)13-7-3-4-8-14(13)23(17)22-11/h2-9H,1H3.
What are the key properties of 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile?
2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile has a molecular weight of 334.77 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile is sourced from PubChem (CID 27306086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).