5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine

C21H21N5O — CID 70798379

IUPAC5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCN1CCN(c2ccnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1
InChIInChI=1S/C21H21N5O/c1-25-8-10-26(11-9-25)19-6-7-23-17-4-2-14(12-16(17)19)15-3-5-20-18(13-15)24-21(22)27-20/h2-7,12-13H,8-11H2,1H3,(H2,22,24)
InChIKeyFFKJOVARIRXUNG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.38
Rot. Bonds2

About 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine

5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798379) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798379
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCN1CCN(c2ccnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1
InChIInChI=1S/C21H21N5O/c1-25-8-10-26(11-9-25)19-6-7-23-17-4-2-14(12-16(17)19)15-3-5-20-18(13-15)24-21(22)27-20/h2-7,12-13H,8-11H2,1H3,(H2,22,24)
InChIKeyFFKJOVARIRXUNG-UHFFFAOYSA-N
XLogP3.38
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine (CID 70798379) is 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine is CN1CCN(c2ccnc3ccc(-c4ccc5oc(N)nc5c4)cc23)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is FFKJOVARIRXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25-8-10-26(11-9-25)19-6-7-23-17-4-2-14(12-16(17)19)15-3-5-20-18(13-15)24-21(22)27-20/h2-7,12-13H,8-11H2,1H3,(H2,22,24).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 359.43 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).