3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol

C22H20N4O2 — CID 91963240

IUPAC3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
SMILESCOc1ccccc1CNc1nc(Nc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C22H20N4O2/c1-28-20-12-5-2-7-15(20)14-23-21-18-10-3-4-11-19(18)25-22(26-21)24-16-8-6-9-17(27)13-16/h2-13,27H,14H2,1H3,(H2,23,24,25,26)
InChIKeyAIEMNOKOVMSLAG-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.70
Rot. Bonds6

About 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol

3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol (PubChem CID 91963240) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
PubChem CID91963240
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
SMILESCOc1ccccc1CNc1nc(Nc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C22H20N4O2/c1-28-20-12-5-2-7-15(20)14-23-21-18-10-3-4-11-19(18)25-22(26-21)24-16-8-6-9-17(27)13-16/h2-13,27H,14H2,1H3,(H2,23,24,25,26)
InChIKeyAIEMNOKOVMSLAG-UHFFFAOYSA-N
XLogP4.70
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol with MolForge

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Related Compounds

3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 91963258
1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol
CID 91963252
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963375

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol (CID 91963240) is 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol is COc1ccccc1CNc1nc(Nc2cccc(O)c2)nc2ccccc12.
What is the InChIKey of 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol?
The InChIKey is AIEMNOKOVMSLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-20-12-5-2-7-15(20)14-23-21-18-10-3-4-11-19(18)25-22(26-21)24-16-8-6-9-17(27)13-16/h2-13,27H,14H2,1H3,(H2,23,24,25,26).
What are the key properties of 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol?
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol has a molecular weight of 372.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 91963240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).