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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Related Compounds

6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
CID 143174772
2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol
CID 10494614
4-[6-[6-(2-hydroxyethoxy)-3-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 147192051
6-chloro-3-methyl-2-[4-(3-methyloxiran-2-yl)oxyphenyl]quinazolin-4-one
CID 20504702
2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one
CID 166312387
6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
CID 141476314
6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
CID 4538652
8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620070
7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one
CID 139721579
1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 147167393
6-(4-chlorophenyl)-3-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-2-(2-methylphenyl)quinazolin-4-one
CID 143174834
8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
CID 141319169

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).