2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol

C19H22N4O3 — CID 59242122

IUPAC2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
SMILESCOc1ccc(N(C)c2nc(NCCO)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C19H22N4O3/c1-23(13-4-6-14(25-2)7-5-13)18-16-12-15(26-3)8-9-17(16)21-19(22-18)20-10-11-24/h4-9,12,24H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyDVZWMRISMQYFJR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.82
Rot. Bonds7

About 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol

2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol (PubChem CID 59242122) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
PubChem CID59242122
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
SMILESCOc1ccc(N(C)c2nc(NCCO)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C19H22N4O3/c1-23(13-4-6-14(25-2)7-5-13)18-16-12-15(26-3)8-9-17(16)21-19(22-18)20-10-11-24/h4-9,12,24H,10-11H2,1-3H3,(H,20,21,22)
InChIKeyDVZWMRISMQYFJR-UHFFFAOYSA-N
XLogP2.82
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol?
The IUPAC name of 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol (CID 59242122) is 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol is COc1ccc(N(C)c2nc(NCCO)nc3ccc(OC)cc23)cc1.
What is the InChIKey of 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol?
The InChIKey is DVZWMRISMQYFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-23(13-4-6-14(25-2)7-5-13)18-16-12-15(26-3)8-9-17(16)21-19(22-18)20-10-11-24/h4-9,12,24H,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol?
2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol has a molecular weight of 354.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol is sourced from PubChem (CID 59242122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).