2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one

C11H11ClN2O3 — CID 117264534

IUPAC2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(CCO)c(Cl)nc12
InChIInChI=1S/C11H11ClN2O3/c1-17-8-4-2-3-7-9(8)13-11(12)14(5-6-15)10(7)16/h2-4,15H,5-6H2,1H3
InChIKeyKBSGRNJLTMJRMB-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.05
Rot. Bonds3

About 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one

2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one (PubChem CID 117264534) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one.

Molecular Properties

Compound Name2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
PubChem CID117264534
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
SMILESCOc1cccc2c(=O)n(CCO)c(Cl)nc12
InChIInChI=1S/C11H11ClN2O3/c1-17-8-4-2-3-7-9(8)13-11(12)14(5-6-15)10(7)16/h2-4,15H,5-6H2,1H3
InChIKeyKBSGRNJLTMJRMB-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
CID 117264841
3-benzyl-8-methoxy-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 86050242
2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264526
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
CID 135401163
2-[4-(3-chloropropoxy)phenyl]-8-methoxy-3-methylquinazolin-4-one
CID 20504705
N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
CID 90259926
4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 13052286
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
4-[3-[2-[(4-chlorophenoxy)methyl]-8-methoxy-4-oxoquinazolin-3-yl]propyl]piperidine-1-carboxylic acid
CID 18327319
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one?
The IUPAC name of 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one (CID 117264534) is 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one.
What is the SMILES notation for 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one?
The canonical SMILES for 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one is COc1cccc2c(=O)n(CCO)c(Cl)nc12.
What is the InChIKey of 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one?
The InChIKey is KBSGRNJLTMJRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-17-8-4-2-3-7-9(8)13-11(12)14(5-6-15)10(7)16/h2-4,15H,5-6H2,1H3.
What are the key properties of 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one?
2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one has a molecular weight of 254.67 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one is sourced from PubChem (CID 117264534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).