2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol

C19H21N5O — CID 167820063

IUPAC2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc3c(c2)CNCC3)nc2ccccc12
InChIInChI=1S/C19H21N5O/c25-10-9-21-18-16-3-1-2-4-17(16)23-19(24-18)22-15-6-5-13-7-8-20-12-14(13)11-15/h1-6,11,20,25H,7-10,12H2,(H2,21,22,23,24)
InChIKeyFKJXAQQYXUJSQV-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.42
Rot. Bonds5

About 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol

2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol (PubChem CID 167820063) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol
PubChem CID167820063
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc3c(c2)CNCC3)nc2ccccc12
InChIInChI=1S/C19H21N5O/c25-10-9-21-18-16-3-1-2-4-17(16)23-19(24-18)22-15-6-5-13-7-8-20-12-14(13)11-15/h1-6,11,20,25H,7-10,12H2,(H2,21,22,23,24)
InChIKeyFKJXAQQYXUJSQV-UHFFFAOYSA-N
XLogP2.42
TPSA82.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol (CID 167820063) is 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol is OCCNc1nc(Nc2ccc3c(c2)CNCC3)nc2ccccc12.
What is the InChIKey of 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol?
The InChIKey is FKJXAQQYXUJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-10-9-21-18-16-3-1-2-4-17(16)23-19(24-18)22-15-6-5-13-7-8-20-12-14(13)11-15/h1-6,11,20,25H,7-10,12H2,(H2,21,22,23,24).
What are the key properties of 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol?
2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol has a molecular weight of 335.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 167820063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).