2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

C24H25ClN4O3 — CID 67725035

IUPAC2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOCCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C24H24N4O3.ClH/c1-29-15-16-31-20-13-9-18(10-14-20)26-24-27-22-6-4-3-5-21(22)23(28-24)25-17-7-11-19(30-2)12-8-17;/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28);1H
InChIKeyCSHNNRIJBNKNTL-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.57
Rot. Bonds9

About 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 67725035) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID67725035
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOCCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C24H24N4O3.ClH/c1-29-15-16-31-20-13-9-18(10-14-20)26-24-27-22-6-4-3-5-21(22)23(28-24)25-17-7-11-19(30-2)12-8-17;/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28);1H
InChIKeyCSHNNRIJBNKNTL-UHFFFAOYSA-N
XLogP5.57
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
2-(2-methoxyethoxy)-N-(4-pyridin-4-yloxyphenyl)quinazolin-4-amine
CID 175385313
2-(2-methoxyethoxy)-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine
CID 175385366
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (CID 67725035) is 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is COCCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1.Cl.
What is the InChIKey of 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is CSHNNRIJBNKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.ClH/c1-29-15-16-31-20-13-9-18(10-14-20)26-24-27-22-6-4-3-5-21(22)23(28-24)25-17-7-11-19(30-2)12-8-17;/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28);1H.
What are the key properties of 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 452.94 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 67725035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).