N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C21H18N4O — CID 948307

IUPACN-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCCOc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4O/c1-2-26-17-11-9-16(10-12-17)23-21-18-7-3-4-8-19(18)24-20(25-21)15-6-5-13-22-14-15/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyQVZKGGRETXUPFQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.83
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 948307) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID948307
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCCOc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4O/c1-2-26-17-11-9-16(10-12-17)23-21-18-7-3-4-8-19(18)24-20(25-21)15-6-5-13-22-14-15/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyQVZKGGRETXUPFQ-UHFFFAOYSA-N
XLogP4.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 948307) is N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is CCOc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is QVZKGGRETXUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-26-17-11-9-16(10-12-17)23-21-18-7-3-4-8-19(18)24-20(25-21)15-6-5-13-22-14-15/h3-14H,2H2,1H3,(H,23,24,25).
What are the key properties of N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 342.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 948307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).