2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

C22H18ClN3O — CID 67688587

IUPAC2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1Cl
InChIInChI=1S/C22H18ClN3O/c1-3-27-20-11-9-15(12-17(20)23)21-14(2)8-10-19(25-21)22-24-13-16-6-4-5-7-18(16)26-22/h4-13H,3H2,1-2H3
InChIKeyBKSKHRZHPCXIPZ-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.72
Rot. Bonds4

About 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688587) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688587
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1Cl
InChIInChI=1S/C22H18ClN3O/c1-3-27-20-11-9-15(12-17(20)23)21-14(2)8-10-19(25-21)22-24-13-16-6-4-5-7-18(16)26-22/h4-13H,3H2,1-2H3
InChIKeyBKSKHRZHPCXIPZ-UHFFFAOYSA-N
XLogP5.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688587) is 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is CCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1Cl.
What is the InChIKey of 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is BKSKHRZHPCXIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-3-27-20-11-9-15(12-17(20)23)21-14(2)8-10-19(25-21)22-24-13-16-6-4-5-7-18(16)26-22/h4-13H,3H2,1-2H3.
What are the key properties of 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 375.86 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).