1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol

C24H24N4O2 — CID 91963252

IUPAC1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol
SMILESCOc1ccccc1CNc1nc(Nc2cccc(C(C)O)c2)nc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-16(29)17-9-7-10-19(14-17)26-24-27-21-12-5-4-11-20(21)23(28-24)25-15-18-8-3-6-13-22(18)30-2/h3-14,16,29H,15H2,1-2H3,(H2,25,26,27,28)
InChIKeyHJBNAFSVSFGCTA-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.05
Rot. Bonds7

About 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol

1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol (PubChem CID 91963252) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol
PubChem CID91963252
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol
SMILESCOc1ccccc1CNc1nc(Nc2cccc(C(C)O)c2)nc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-16(29)17-9-7-10-19(14-17)26-24-27-21-12-5-4-11-20(21)23(28-24)25-15-18-8-3-6-13-22(18)30-2/h3-14,16,29H,15H2,1-2H3,(H2,25,26,27,28)
InChIKeyHJBNAFSVSFGCTA-UHFFFAOYSA-N
XLogP5.05
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol with MolForge

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Related Compounds

3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 91963258
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
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
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol (CID 91963252) is 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol is COc1ccccc1CNc1nc(Nc2cccc(C(C)O)c2)nc2ccccc12.
What is the InChIKey of 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol?
The InChIKey is HJBNAFSVSFGCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(29)17-9-7-10-19(14-17)26-24-27-21-12-5-4-11-20(21)23(28-24)25-15-18-8-3-6-13-22(18)30-2/h3-14,16,29H,15H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol?
1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol has a molecular weight of 400.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 91963252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).