2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol

C21H33N5O2 — CID 66903579

IUPAC2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCNc1nc(N2CCCCCCC2)c2ccccc2n1
InChIInChI=1S/C21H33N5O2/c27-16-14-25(15-17-28)13-10-22-21-23-19-9-5-4-8-18(19)20(24-21)26-11-6-2-1-3-7-12-26/h4-5,8-9,27-28H,1-3,6-7,10-17H2,(H,22,23,24)
InChIKeyOEVBJCRRXQBHGS-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.10
Rot. Bonds9

About 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 66903579) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID66903579
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCNc1nc(N2CCCCCCC2)c2ccccc2n1
InChIInChI=1S/C21H33N5O2/c27-16-14-25(15-17-28)13-10-22-21-23-19-9-5-4-8-18(19)20(24-21)26-11-6-2-1-3-7-12-26/h4-5,8-9,27-28H,1-3,6-7,10-17H2,(H,22,23,24)
InChIKeyOEVBJCRRXQBHGS-UHFFFAOYSA-N
XLogP2.10
TPSA84.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol (CID 66903579) is 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CCNc1nc(N2CCCCCCC2)c2ccccc2n1.
What is the InChIKey of 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OEVBJCRRXQBHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c27-16-14-25(15-17-28)13-10-22-21-23-19-9-5-4-8-18(19)20(24-21)26-11-6-2-1-3-7-12-26/h4-5,8-9,27-28H,1-3,6-7,10-17H2,(H,22,23,24).
What are the key properties of 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 387.53 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 66903579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).