N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine

C21H18N4 — CID 937982

IUPACN-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine
SMILESc1ccc(CCNc2nc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
InChIKeyFIBATSPGNRZQTN-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.35
Rot. Bonds5

About N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine

N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine (PubChem CID 937982) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine
PubChem CID937982
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine
SMILESc1ccc(CCNc2nc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
InChIKeyFIBATSPGNRZQTN-UHFFFAOYSA-N
XLogP4.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine (CID 937982) is N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine is c1ccc(CCNc2nc(-c3ccccn3)nc3ccccc23)cc1.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine?
The InChIKey is FIBATSPGNRZQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25).
What are the key properties of N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine?
N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine is sourced from PubChem (CID 937982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).