1-(3-amino-2-hydroxypropyl)cinnolin-4-one

C11H13N3O2 — CID 43646497

IUPAC1-(3-amino-2-hydroxypropyl)cinnolin-4-one
SMILESNCC(O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C11H13N3O2/c12-5-8(15)7-14-10-4-2-1-3-9(10)11(16)6-13-14/h1-4,6,8,15H,5,7,12H2
InChIKeyKHWAXMWWWXRLAX-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.28
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)cinnolin-4-one

1-(3-amino-2-hydroxypropyl)cinnolin-4-one (PubChem CID 43646497) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)cinnolin-4-one.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)cinnolin-4-one
PubChem CID43646497
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(3-amino-2-hydroxypropyl)cinnolin-4-one
SMILESNCC(O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C11H13N3O2/c12-5-8(15)7-14-10-4-2-1-3-9(10)11(16)6-13-14/h1-4,6,8,15H,5,7,12H2
InChIKeyKHWAXMWWWXRLAX-UHFFFAOYSA-N
XLogP-0.28
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)cinnolin-4-one?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)cinnolin-4-one (CID 43646497) is 1-(3-amino-2-hydroxypropyl)cinnolin-4-one.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)cinnolin-4-one?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)cinnolin-4-one is NCC(O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)cinnolin-4-one?
The InChIKey is KHWAXMWWWXRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-8(15)7-14-10-4-2-1-3-9(10)11(16)6-13-14/h1-4,6,8,15H,5,7,12H2.
What are the key properties of 1-(3-amino-2-hydroxypropyl)cinnolin-4-one?
1-(3-amino-2-hydroxypropyl)cinnolin-4-one has a molecular weight of 219.24 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)cinnolin-4-one is sourced from PubChem (CID 43646497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).