2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol

C24H24N4O2 — CID 10363608

IUPAC2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1
InChIInChI=1S/C24H24N4O2/c1-17-9-6-7-13-20(17)25-24-26-22-19(12-8-14-21(22)30-16-15-29)23(27-24)28(2)18-10-4-3-5-11-18/h3-14,29H,15-16H2,1-2H3,(H,25,26,27)
InChIKeyYTMKARSYSJNMII-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.82
Rot. Bonds7

About 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol

2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol (PubChem CID 10363608) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol
PubChem CID10363608
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1
InChIInChI=1S/C24H24N4O2/c1-17-9-6-7-13-20(17)25-24-26-22-19(12-8-14-21(22)30-16-15-29)23(27-24)28(2)18-10-4-3-5-11-18/h3-14,29H,15-16H2,1-2H3,(H,25,26,27)
InChIKeyYTMKARSYSJNMII-UHFFFAOYSA-N
XLogP4.82
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol?
The IUPAC name of 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol (CID 10363608) is 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol.
What is the SMILES notation for 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol?
The canonical SMILES for 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol is Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1.
What is the InChIKey of 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol?
The InChIKey is YTMKARSYSJNMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-9-6-7-13-20(17)25-24-26-22-19(12-8-14-21(22)30-16-15-29)23(27-24)28(2)18-10-4-3-5-11-18/h3-14,29H,15-16H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol?
2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol has a molecular weight of 400.48 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-methylanilino)-2-(2-methylanilino)quinazolin-8-yl]oxyethanol is sourced from PubChem (CID 10363608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).