2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol

C15H21N3O5 — CID 110433388

IUPAC2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol
SMILESCOc1cc2c(N(CCO)CCO)ncnc2c(OC)c1OC
InChIInChI=1S/C15H21N3O5/c1-21-11-8-10-12(14(23-3)13(11)22-2)16-9-17-15(10)18(4-6-19)5-7-20/h8-9,19-20H,4-7H2,1-3H3
InChIKeyPAYNBWBPYPHVCX-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.45
Rot. Bonds8

About 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol

2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol (PubChem CID 110433388) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol
PubChem CID110433388
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol
SMILESCOc1cc2c(N(CCO)CCO)ncnc2c(OC)c1OC
InChIInChI=1S/C15H21N3O5/c1-21-11-8-10-12(14(23-3)13(11)22-2)16-9-17-15(10)18(4-6-19)5-7-20/h8-9,19-20H,4-7H2,1-3H3
InChIKeyPAYNBWBPYPHVCX-UHFFFAOYSA-N
XLogP0.45
TPSA97.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
CID 110433384
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
CID 106541407
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
CID 106541421
2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848630
3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide
CID 110435791
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 64588093
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol (CID 110433388) is 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol is COc1cc2c(N(CCO)CCO)ncnc2c(OC)c1OC.
What is the InChIKey of 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol?
The InChIKey is PAYNBWBPYPHVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-21-11-8-10-12(14(23-3)13(11)22-2)16-9-17-15(10)18(4-6-19)5-7-20/h8-9,19-20H,4-7H2,1-3H3.
What are the key properties of 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol?
2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol has a molecular weight of 323.35 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 110433388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).