4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol

C21H18N4O2 — CID 54556640

IUPAC4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
SMILESCOc1ccc(Nc2nc(Nc3ccc(O)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4O2/c1-27-17-12-8-14(9-13-17)22-20-18-4-2-3-5-19(18)24-21(25-20)23-15-6-10-16(26)11-7-15/h2-13,26H,1H3,(H2,22,23,24,25)
InChIKeyZNPZCFCNZBRRLJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.83
Rot. Bonds5

About 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol

4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol (PubChem CID 54556640) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
PubChem CID54556640
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
SMILESCOc1ccc(Nc2nc(Nc3ccc(O)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4O2/c1-27-17-12-8-14(9-13-17)22-20-18-4-2-3-5-19(18)24-21(25-20)23-15-6-10-16(26)11-7-15/h2-13,26H,1H3,(H2,22,23,24,25)
InChIKeyZNPZCFCNZBRRLJ-UHFFFAOYSA-N
XLogP4.83
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
N-(4-methoxyphenyl)-2-propylquinazolin-4-amine
CID 10756141
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
CID 54514405
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol (CID 54556640) is 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol is COc1ccc(Nc2nc(Nc3ccc(O)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol?
The InChIKey is ZNPZCFCNZBRRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-17-12-8-14(9-13-17)22-20-18-4-2-3-5-19(18)24-21(25-20)23-15-6-10-16(26)11-7-15/h2-13,26H,1H3,(H2,22,23,24,25).
What are the key properties of 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol?
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol has a molecular weight of 358.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 54556640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).