3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol

C24H32N4O2 — CID 139325162

IUPAC3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol
SMILESCCC(NC1CCCCC1)C(CO)CNc1nc2ccccc2cc1-c1ncco1
InChIInChI=1S/C24H32N4O2/c1-2-21(27-19-9-4-3-5-10-19)18(16-29)15-26-23-20(24-25-12-13-30-24)14-17-8-6-7-11-22(17)28-23/h6-8,11-14,18-19,21,27,29H,2-5,9-10,15-16H2,1H3,(H,26,28)
InChIKeyQMIRBGDIJBVUKZ-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.61
Rot. Bonds9

About 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol

3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol (PubChem CID 139325162) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol
PubChem CID139325162
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol
SMILESCCC(NC1CCCCC1)C(CO)CNc1nc2ccccc2cc1-c1ncco1
InChIInChI=1S/C24H32N4O2/c1-2-21(27-19-9-4-3-5-10-19)18(16-29)15-26-23-20(24-25-12-13-30-24)14-17-8-6-7-11-22(17)28-23/h6-8,11-14,18-19,21,27,29H,2-5,9-10,15-16H2,1H3,(H,26,28)
InChIKeyQMIRBGDIJBVUKZ-UHFFFAOYSA-N
XLogP4.61
TPSA83.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol (CID 139325162) is 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol is CCC(NC1CCCCC1)C(CO)CNc1nc2ccccc2cc1-c1ncco1.
What is the InChIKey of 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol?
The InChIKey is QMIRBGDIJBVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-21(27-19-9-4-3-5-10-19)18(16-29)15-26-23-20(24-25-12-13-30-24)14-17-8-6-7-11-22(17)28-23/h6-8,11-14,18-19,21,27,29H,2-5,9-10,15-16H2,1H3,(H,26,28).
What are the key properties of 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol?
3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol has a molecular weight of 408.55 g/mol, XLogP of 4.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 139325162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).