2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine

C14H16ClN3O2 — CID 104764581

IUPAC2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine
SMILESCOC1(CNc2nc(Cl)nc3ccccc23)CCOC1
InChIInChI=1S/C14H16ClN3O2/c1-19-14(6-7-20-9-14)8-16-12-10-4-2-3-5-11(10)17-13(15)18-12/h2-5H,6-9H2,1H3,(H,16,17,18)
InChIKeyIYPAVJOHMRHBDJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.50
Rot. Bonds4

About 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine

2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine (PubChem CID 104764581) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine
PubChem CID104764581
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine
SMILESCOC1(CNc2nc(Cl)nc3ccccc23)CCOC1
InChIInChI=1S/C14H16ClN3O2/c1-19-14(6-7-20-9-14)8-16-12-10-4-2-3-5-11(10)17-13(15)18-12/h2-5H,6-9H2,1H3,(H,16,17,18)
InChIKeyIYPAVJOHMRHBDJ-UHFFFAOYSA-N
XLogP2.50
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine (CID 104764581) is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine is COC1(CNc2nc(Cl)nc3ccccc23)CCOC1.
What is the InChIKey of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine?
The InChIKey is IYPAVJOHMRHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-14(6-7-20-9-14)8-16-12-10-4-2-3-5-11(10)17-13(15)18-12/h2-5H,6-9H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine?
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine has a molecular weight of 293.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 104764581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).