2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline

C20H13Cl2N3 — CID 67688992

IUPAC2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESClc1cccc(Cl)c1Cc1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C20H13Cl2N3/c21-16-7-4-8-17(22)15(16)11-14-6-3-10-19(24-14)20-23-12-13-5-1-2-9-18(13)25-20/h1-10,12H,11H2
InChIKeySXBUFRWMTRBODX-UHFFFAOYSA-N
MW366.25 g/mol
LogP5.59
Rot. Bonds3

About 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline

2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline (PubChem CID 67688992) has the molecular formula C20H13Cl2N3 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline
PubChem CID67688992
Molecular FormulaC20H13Cl2N3
Molecular Weight366.25 g/mol
Exact Mass365.05
IUPAC Name2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESClc1cccc(Cl)c1Cc1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C20H13Cl2N3/c21-16-7-4-8-17(22)15(16)11-14-6-3-10-19(24-14)20-23-12-13-5-1-2-9-18(13)25-20/h1-10,12H,11H2
InChIKeySXBUFRWMTRBODX-UHFFFAOYSA-N
XLogP5.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline (CID 67688992) is 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline is Clc1cccc(Cl)c1Cc1cccc(-c2ncc3ccccc3n2)n1.
What is the InChIKey of 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline?
The InChIKey is SXBUFRWMTRBODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3/c21-16-7-4-8-17(22)15(16)11-14-6-3-10-19(24-14)20-23-12-13-5-1-2-9-18(13)25-20/h1-10,12H,11H2.
What are the key properties of 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline?
2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline has a molecular weight of 366.25 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2,6-dichlorophenyl)methyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).