2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride

C20H18Cl2N4 — CID 45261670

IUPAC2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(NCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C20H16N4.2ClH/c1-2-8-15(9-3-1)19-23-18-12-5-4-11-17(18)20(24-19)22-14-16-10-6-7-13-21-16;;/h1-13H,14H2,(H,22,23,24);2*1H
InChIKeyBKVMJSVFFCZACL-UHFFFAOYSA-N
MW385.30 g/mol
LogP5.15
Rot. Bonds4

About 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride

2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride (PubChem CID 45261670) has the molecular formula C20H18Cl2N4 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
PubChem CID45261670
Molecular FormulaC20H18Cl2N4
Molecular Weight385.30 g/mol
Exact Mass384.09
IUPAC Name2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(NCc3ccccn3)c3ccccc3n2)cc1
InChIInChI=1S/C20H16N4.2ClH/c1-2-8-15(9-3-1)19-23-18-12-5-4-11-17(18)20(24-19)22-14-16-10-6-7-13-21-16;;/h1-13H,14H2,(H,22,23,24);2*1H
InChIKeyBKVMJSVFFCZACL-UHFFFAOYSA-N
XLogP5.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 4880961
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
2-[(dimethylamino)methyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003940
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine
CID 133332022
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
CID 51030922
2-(2-ethynyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 122643344

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride?
The IUPAC name of 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride (CID 45261670) is 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride.
What is the SMILES notation for 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride?
The canonical SMILES for 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride is Cl.Cl.c1ccc(-c2nc(NCc3ccccn3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride?
The InChIKey is BKVMJSVFFCZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4.2ClH/c1-2-8-15(9-3-1)19-23-18-12-5-4-11-17(18)20(24-19)22-14-16-10-6-7-13-21-16;;/h1-13H,14H2,(H,22,23,24);2*1H.
What are the key properties of 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride?
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride has a molecular weight of 385.30 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 45261670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).