2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one

C12H14ClN3O2 — CID 117264101

IUPAC2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
SMILESCNC(C)Cn1c(Cl)nc2ccc(O)cc2c1=O
InChIInChI=1S/C12H14ClN3O2/c1-7(14-2)6-16-11(18)9-5-8(17)3-4-10(9)15-12(16)13/h3-5,7,14,17H,6H2,1-2H3
InChIKeyQVFNLEUYKAZDQV-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.36
Rot. Bonds3

About 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one

2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one (PubChem CID 117264101) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
PubChem CID117264101
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
SMILESCNC(C)Cn1c(Cl)nc2ccc(O)cc2c1=O
InChIInChI=1S/C12H14ClN3O2/c1-7(14-2)6-16-11(18)9-5-8(17)3-4-10(9)15-12(16)13/h3-5,7,14,17H,6H2,1-2H3
InChIKeyQVFNLEUYKAZDQV-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one?
The IUPAC name of 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one (CID 117264101) is 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one?
The canonical SMILES for 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one is CNC(C)Cn1c(Cl)nc2ccc(O)cc2c1=O.
What is the InChIKey of 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one?
The InChIKey is QVFNLEUYKAZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7(14-2)6-16-11(18)9-5-8(17)3-4-10(9)15-12(16)13/h3-5,7,14,17H,6H2,1-2H3.
What are the key properties of 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one?
2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one has a molecular weight of 267.72 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 117264101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).