4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile

C19H15Cl2N5 — CID 118019018

IUPAC4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile
SMILESN#CC1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1
InChIInChI=1S/C19H15Cl2N5/c20-13-3-1-12(2-4-13)15-7-16-18(8-17(15)21)24-11-25-19(16)26-6-5-23-14(9-22)10-26/h1-4,7-8,11,14,23H,5-6,10H2
InChIKeyLDTJYYVURNDYRG-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.91
Rot. Bonds2

About 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile

4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile (PubChem CID 118019018) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile
PubChem CID118019018
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC Name4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile
SMILESN#CC1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1
InChIInChI=1S/C19H15Cl2N5/c20-13-3-1-12(2-4-13)15-7-16-18(8-17(15)21)24-11-25-19(16)26-6-5-23-14(9-22)10-26/h1-4,7-8,11,14,23H,5-6,10H2
InChIKeyLDTJYYVURNDYRG-UHFFFAOYSA-N
XLogP3.91
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile?
The IUPAC name of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile (CID 118019018) is 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile.
What is the SMILES notation for 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile?
The canonical SMILES for 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile is N#CC1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1.
What is the InChIKey of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile?
The InChIKey is LDTJYYVURNDYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c20-13-3-1-12(2-4-13)15-7-16-18(8-17(15)21)24-11-25-19(16)26-6-5-23-14(9-22)10-26/h1-4,7-8,11,14,23H,5-6,10H2.
What are the key properties of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile?
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile has a molecular weight of 384.27 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile is sourced from PubChem (CID 118019018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).