2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde

C24H16N6O — CID 144501484

IUPAC2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
SMILESO=Cc1ccccc1Nc1nc(-c2cccnc2)nc2ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H16N6O/c31-14-18-4-1-2-6-21(18)28-24-20-10-16(19-12-26-15-27-13-19)7-8-22(20)29-23(30-24)17-5-3-9-25-11-17/h1-15H,(H,28,29,30)
InChIKeyFLBTVYLEVSQAPD-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.70
Rot. Bonds5

About 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde

2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde (PubChem CID 144501484) has the molecular formula C24H16N6O and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde.

Molecular Properties

Compound Name2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
PubChem CID144501484
Molecular FormulaC24H16N6O
Molecular Weight404.43 g/mol
Exact Mass404.14
IUPAC Name2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
SMILESO=Cc1ccccc1Nc1nc(-c2cccnc2)nc2ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H16N6O/c31-14-18-4-1-2-6-21(18)28-24-20-10-16(19-12-26-15-27-13-19)7-8-22(20)29-23(30-24)17-5-3-9-25-11-17/h1-15H,(H,28,29,30)
InChIKeyFLBTVYLEVSQAPD-UHFFFAOYSA-N
XLogP4.70
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
CID 144501483
2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
CID 71180731
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
CID 71181047
N-[6-(4-acetylphenyl)-2-pyridin-3-ylquinazolin-4-yl]acetamide
CID 71181229
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
The IUPAC name of 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde (CID 144501484) is 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde.
What is the SMILES notation for 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
The canonical SMILES for 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde is O=Cc1ccccc1Nc1nc(-c2cccnc2)nc2ccc(-c3cncnc3)cc12.
What is the InChIKey of 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
The InChIKey is FLBTVYLEVSQAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O/c31-14-18-4-1-2-6-21(18)28-24-20-10-16(19-12-26-15-27-13-19)7-8-22(20)29-23(30-24)17-5-3-9-25-11-17/h1-15H,(H,28,29,30).
What are the key properties of 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde has a molecular weight of 404.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde is sourced from PubChem (CID 144501484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).