6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one

C22H18ClN3O3 — CID 143175130

IUPAC6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OCCO)nc2)nc2ccc(-c3ccc(Cl)cc3)cc2c1=O
InChIInChI=1S/C22H18ClN3O3/c1-26-21(16-5-9-20(24-13-16)29-11-10-27)25-19-8-4-15(12-18(19)22(26)28)14-2-6-17(23)7-3-14/h2-9,12-13,27H,10-11H2,1H3
InChIKeyQKSBHZZQEINLIO-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.69
Rot. Bonds5

About 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one

6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one (PubChem CID 143175130) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one
PubChem CID143175130
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OCCO)nc2)nc2ccc(-c3ccc(Cl)cc3)cc2c1=O
InChIInChI=1S/C22H18ClN3O3/c1-26-21(16-5-9-20(24-13-16)29-11-10-27)25-19-8-4-15(12-18(19)22(26)28)14-2-6-17(23)7-3-14/h2-9,12-13,27H,10-11H2,1H3
InChIKeyQKSBHZZQEINLIO-UHFFFAOYSA-N
XLogP3.69
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one (CID 143175130) is 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one is Cn1c(-c2ccc(OCCO)nc2)nc2ccc(-c3ccc(Cl)cc3)cc2c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one?
The InChIKey is QKSBHZZQEINLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-26-21(16-5-9-20(24-13-16)29-11-10-27)25-19-8-4-15(12-18(19)22(26)28)14-2-6-17(23)7-3-14/h2-9,12-13,27H,10-11H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one?
6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one has a molecular weight of 407.86 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 143175130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).