N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine

C21H18N4 — CID 748631

IUPACN-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCc1ccc(C)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C21H18N4/c1-14-7-8-15(2)19(13-14)24-21-17-5-3-4-6-18(17)23-20(25-21)16-9-11-22-12-10-16/h3-13H,1-2H3,(H,23,24,25)
InChIKeyHZLCLAGHLCKFLZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.05
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 748631) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID748631
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCc1ccc(C)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C21H18N4/c1-14-7-8-15(2)19(13-14)24-21-17-5-3-4-6-18(17)23-20(25-21)16-9-11-22-12-10-16/h3-13H,1-2H3,(H,23,24,25)
InChIKeyHZLCLAGHLCKFLZ-UHFFFAOYSA-N
XLogP5.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 748631) is N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine is Cc1ccc(C)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is HZLCLAGHLCKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-14-7-8-15(2)19(13-14)24-21-17-5-3-4-6-18(17)23-20(25-21)16-9-11-22-12-10-16/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 748631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).