6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline

C20H14ClN3O — CID 126758994

IUPAC6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline
SMILESCOc1ccc(Cl)c(-c2ncccc2-c2ccc3ncncc3c2)c1
InChIInChI=1S/C20H14ClN3O/c1-25-15-5-6-18(21)17(10-15)20-16(3-2-8-23-20)13-4-7-19-14(9-13)11-22-12-24-19/h2-12H,1H3
InChIKeyZTNQHAMBZWFMJD-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.02
Rot. Bonds3

About 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline

6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline (PubChem CID 126758994) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline.

Molecular Properties

Compound Name6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline
PubChem CID126758994
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline
SMILESCOc1ccc(Cl)c(-c2ncccc2-c2ccc3ncncc3c2)c1
InChIInChI=1S/C20H14ClN3O/c1-25-15-5-6-18(21)17(10-15)20-16(3-2-8-23-20)13-4-7-19-14(9-13)11-22-12-24-19/h2-12H,1H3
InChIKeyZTNQHAMBZWFMJD-UHFFFAOYSA-N
XLogP5.02
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline?
The IUPAC name of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline (CID 126758994) is 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline.
What is the SMILES notation for 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline?
The canonical SMILES for 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline is COc1ccc(Cl)c(-c2ncccc2-c2ccc3ncncc3c2)c1.
What is the InChIKey of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline?
The InChIKey is ZTNQHAMBZWFMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c1-25-15-5-6-18(21)17(10-15)20-16(3-2-8-23-20)13-4-7-19-14(9-13)11-22-12-24-19/h2-12H,1H3.
What are the key properties of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline?
6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline has a molecular weight of 347.81 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazoline is sourced from PubChem (CID 126758994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).