N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride

C21H19ClN4 — CID 2908915

IUPACN-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
SMILESCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C21H18N4.ClH/c1-15(16-8-3-2-4-9-16)23-21-18-11-5-6-12-19(18)24-20(25-21)17-10-7-13-22-14-17;/h2-15H,1H3,(H,23,24,25);1H
InChIKeyRSSXYMCVEJCRHG-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.29
Rot. Bonds4

About N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride

N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride (PubChem CID 2908915) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
PubChem CID2908915
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC NameN-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
SMILESCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C21H18N4.ClH/c1-15(16-8-3-2-4-9-16)23-21-18-11-5-6-12-19(18)24-20(25-21)17-10-7-13-22-14-17;/h2-15H,1H3,(H,23,24,25);1H
InChIKeyRSSXYMCVEJCRHG-UHFFFAOYSA-N
XLogP5.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride (CID 2908915) is N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride is CC(Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride?
The InChIKey is RSSXYMCVEJCRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4.ClH/c1-15(16-8-3-2-4-9-16)23-21-18-11-5-6-12-19(18)24-20(25-21)17-10-7-13-22-14-17;/h2-15H,1H3,(H,23,24,25);1H.
What are the key properties of N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride?
N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2908915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).