5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde

C14H12N2O3 — CID 169335455

IUPAC5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde
SMILESCN1C(=O)NCc2cccc(-c3ccc(C=O)o3)c21
InChIInChI=1S/C14H12N2O3/c1-16-13-9(7-15-14(16)18)3-2-4-11(13)12-6-5-10(8-17)19-12/h2-6,8H,7H2,1H3,(H,15,18)
InChIKeyJYHKFHFGHVUEQV-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.42
Rot. Bonds2

About 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde

5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde (PubChem CID 169335455) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde
PubChem CID169335455
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde
SMILESCN1C(=O)NCc2cccc(-c3ccc(C=O)o3)c21
InChIInChI=1S/C14H12N2O3/c1-16-13-9(7-15-14(16)18)3-2-4-11(13)12-6-5-10(8-17)19-12/h2-6,8H,7H2,1H3,(H,15,18)
InChIKeyJYHKFHFGHVUEQV-UHFFFAOYSA-N
XLogP2.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
CID 169332959
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
CID 169333519
5-[2-methyl-3-(2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carbaldehyde
CID 169334453
5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde
CID 169335017
5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
CID 169334108
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169332423
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
5-(2-methylquinolin-8-yl)furan-2-carbaldehyde
CID 55152319
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627
5-dibenzofuran-1-ylfuran-2-carbaldehyde
CID 169332087
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde (CID 169335455) is 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde is CN1C(=O)NCc2cccc(-c3ccc(C=O)o3)c21.
What is the InChIKey of 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde?
The InChIKey is JYHKFHFGHVUEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-16-13-9(7-15-14(16)18)3-2-4-11(13)12-6-5-10(8-17)19-12/h2-6,8H,7H2,1H3,(H,15,18).
What are the key properties of 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde?
5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde has a molecular weight of 256.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169335455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).