3-(quinazolin-2-ylamino)propane-1,2-diol

C11H13N3O2 — CID 114789175

IUPAC3-(quinazolin-2-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ncc2ccccc2n1
InChIInChI=1S/C11H13N3O2/c15-7-9(16)6-13-11-12-5-8-3-1-2-4-10(8)14-11/h1-5,9,15-16H,6-7H2,(H,12,13,14)
InChIKeyKHZWRYTVBOYSSI-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.39
Rot. Bonds4

About 3-(quinazolin-2-ylamino)propane-1,2-diol

3-(quinazolin-2-ylamino)propane-1,2-diol (PubChem CID 114789175) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(quinazolin-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(quinazolin-2-ylamino)propane-1,2-diol
PubChem CID114789175
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(quinazolin-2-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ncc2ccccc2n1
InChIInChI=1S/C11H13N3O2/c15-7-9(16)6-13-11-12-5-8-3-1-2-4-10(8)14-11/h1-5,9,15-16H,6-7H2,(H,12,13,14)
InChIKeyKHZWRYTVBOYSSI-UHFFFAOYSA-N
XLogP0.39
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-(2-chloro-3-methoxypropyl)quinazolin-2-amine
CID 114789830
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N-(4-chloro-2-ethylbutyl)quinazolin-2-amine
CID 114789856
2-[1-[(quinazolin-2-ylamino)methyl]cyclopropyl]ethanol
CID 114789342
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025

Frequently Asked Questions

What is the IUPAC name of 3-(quinazolin-2-ylamino)propane-1,2-diol?
The IUPAC name of 3-(quinazolin-2-ylamino)propane-1,2-diol (CID 114789175) is 3-(quinazolin-2-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(quinazolin-2-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(quinazolin-2-ylamino)propane-1,2-diol is OCC(O)CNc1ncc2ccccc2n1.
What is the InChIKey of 3-(quinazolin-2-ylamino)propane-1,2-diol?
The InChIKey is KHZWRYTVBOYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-7-9(16)6-13-11-12-5-8-3-1-2-4-10(8)14-11/h1-5,9,15-16H,6-7H2,(H,12,13,14).
What are the key properties of 3-(quinazolin-2-ylamino)propane-1,2-diol?
3-(quinazolin-2-ylamino)propane-1,2-diol has a molecular weight of 219.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinazolin-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 114789175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).