2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde

C10H7ClN2O3 — CID 117264206

IUPAC2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
SMILESO=CCn1c(Cl)nc2cc(O)ccc2c1=O
InChIInChI=1S/C10H7ClN2O3/c11-10-12-8-5-6(15)1-2-7(8)9(16)13(10)3-4-14/h1-2,4-5,15H,3H2
InChIKeyHVNXUYZRCIXFJM-UHFFFAOYSA-N
MW238.63 g/mol
LogP0.95
Rot. Bonds2

About 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde

2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde (PubChem CID 117264206) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
PubChem CID117264206
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
SMILESO=CCn1c(Cl)nc2cc(O)ccc2c1=O
InChIInChI=1S/C10H7ClN2O3/c11-10-12-8-5-6(15)1-2-7(8)9(16)13(10)3-4-14/h1-2,4-5,15H,3H2
InChIKeyHVNXUYZRCIXFJM-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327
2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
CID 117262789
2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
CID 117263866
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200
2-chloro-7-methyl-3-(2-oxopropyl)quinazolin-4-one
CID 117264191
2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264101
2-chloro-7-hydroxyquinazoline-4-carbaldehyde
CID 136866588
2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one
CID 117264246
2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2-chloro-7-fluoro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264428
3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one
CID 58387646
7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
CID 84787286

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
The IUPAC name of 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde (CID 117264206) is 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
The canonical SMILES for 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde is O=CCn1c(Cl)nc2cc(O)ccc2c1=O.
What is the InChIKey of 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
The InChIKey is HVNXUYZRCIXFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-10-12-8-5-6(15)1-2-7(8)9(16)13(10)3-4-14/h1-2,4-5,15H,3H2.
What are the key properties of 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde?
2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde has a molecular weight of 238.63 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde is sourced from PubChem (CID 117264206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).