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

C17H20ClN7O — CID 25178554

IUPAC6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1
InChIInChI=1S/C17H20ClN7O/c1-11-20-15(26-23-11)10-19-16-13-9-12(18)3-4-14(13)21-17(22-16)25-7-5-24(2)6-8-25/h3-4,9H,5-8,10H2,1-2H3,(H,19,21,22)
InChIKeySYICWFONNQDEQH-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.34
Rot. Bonds4

About 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 25178554) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID25178554
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1
InChIInChI=1S/C17H20ClN7O/c1-11-20-15(26-23-11)10-19-16-13-9-12(18)3-4-14(13)21-17(22-16)25-7-5-24(2)6-8-25/h3-4,9H,5-8,10H2,1-2H3,(H,19,21,22)
InChIKeySYICWFONNQDEQH-UHFFFAOYSA-N
XLogP2.34
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 25178554) is 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1.
What is the InChIKey of 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is SYICWFONNQDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-11-20-15(26-23-11)10-19-16-13-9-12(18)3-4-14(13)21-17(22-16)25-7-5-24(2)6-8-25/h3-4,9H,5-8,10H2,1-2H3,(H,19,21,22).
What are the key properties of 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 373.85 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 25178554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).