3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde

C20H13N3O2 — CID 31525629

IUPAC3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde
SMILESO=Cc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H13N3O2/c24-13-14-4-3-5-16(12-14)25-20-17-6-1-2-7-18(17)22-19(23-20)15-8-10-21-11-9-15/h1-13H
InChIKeyRKBOEOKLAPDKHD-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.30
Rot. Bonds4

About 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde

3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde (PubChem CID 31525629) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde
PubChem CID31525629
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde
SMILESO=Cc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H13N3O2/c24-13-14-4-3-5-16(12-14)25-20-17-6-1-2-7-18(17)22-19(23-20)15-8-10-21-11-9-15/h1-13H
InChIKeyRKBOEOKLAPDKHD-UHFFFAOYSA-N
XLogP4.30
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
N-methyl-4-[2-(4-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 57394290
4-(4-Methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
CID 719310
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748083
4-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748085
4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(2-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 929925
4-(3-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 930112
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(4-Fluorophenoxy)-2-pyridin-2-ylquinazoline
CID 930136
4-(3-Methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 930151

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde?
The IUPAC name of 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde (CID 31525629) is 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde?
The canonical SMILES for 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde is O=Cc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde?
The InChIKey is RKBOEOKLAPDKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-13-14-4-3-5-16(12-14)25-20-17-6-1-2-7-18(17)22-19(23-20)15-8-10-21-11-9-15/h1-13H.
What are the key properties of 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde?
3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde has a molecular weight of 327.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylquinazolin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 31525629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).