7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine

C17H18ClN5O2 — CID 128972809

IUPAC7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
SMILESCc1noc(C(Nc2ncnc3cc(Cl)ccc23)C2CCOCC2)n1
InChIInChI=1S/C17H18ClN5O2/c1-10-21-17(25-23-10)15(11-4-6-24-7-5-11)22-16-13-3-2-12(18)8-14(13)19-9-20-16/h2-3,8-9,11,15H,4-7H2,1H3,(H,19,20,22)
InChIKeyIOMBELJVRILKNB-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.55
Rot. Bonds4

About 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine

7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine (PubChem CID 128972809) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
PubChem CID128972809
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
SMILESCc1noc(C(Nc2ncnc3cc(Cl)ccc23)C2CCOCC2)n1
InChIInChI=1S/C17H18ClN5O2/c1-10-21-17(25-23-10)15(11-4-6-24-7-5-11)22-16-13-3-2-12(18)8-14(13)19-9-20-16/h2-3,8-9,11,15H,4-7H2,1H3,(H,19,20,22)
InChIKeyIOMBELJVRILKNB-UHFFFAOYSA-N
XLogP3.55
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine (CID 128972809) is 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine is Cc1noc(C(Nc2ncnc3cc(Cl)ccc23)C2CCOCC2)n1.
What is the InChIKey of 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
The InChIKey is IOMBELJVRILKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10-21-17(25-23-10)15(11-4-6-24-7-5-11)22-16-13-3-2-12(18)8-14(13)19-9-20-16/h2-3,8-9,11,15H,4-7H2,1H3,(H,19,20,22).
What are the key properties of 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine has a molecular weight of 359.82 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 128972809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).