2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

C22H21ClN4O2 — CID 17324428

IUPAC2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C22H20N4O2.ClH/c1-27-17-11-7-15(8-12-17)23-21-19-5-3-4-6-20(19)25-22(26-21)24-16-9-13-18(28-2)14-10-16;/h3-14H,1-2H3,(H2,23,24,25,26);1H
InChIKeyTXKQPZLJQPAIJQ-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.56
Rot. Bonds6

About 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 17324428) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID17324428
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C22H20N4O2.ClH/c1-27-17-11-7-15(8-12-17)23-21-19-5-3-4-6-20(19)25-22(26-21)24-16-9-13-18(28-2)14-10-16;/h3-14H,1-2H3,(H2,23,24,25,26);1H
InChIKeyTXKQPZLJQPAIJQ-UHFFFAOYSA-N
XLogP5.56
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (CID 17324428) is 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1.Cl.
What is the InChIKey of 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is TXKQPZLJQPAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2.ClH/c1-27-17-11-7-15(8-12-17)23-21-19-5-3-4-6-20(19)25-22(26-21)24-16-9-13-18(28-2)14-10-16;/h3-14H,1-2H3,(H2,23,24,25,26);1H.
What are the key properties of 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 17324428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).