1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol

C14H17BrN2O2 — CID 71996715

IUPAC1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccnc2cc(Br)ccc12
InChIInChI=1S/C14H17BrN2O2/c1-17(8-11(18)9-19-2)14-5-6-16-13-7-10(15)3-4-12(13)14/h3-7,11,18H,8-9H2,1-2H3
InChIKeyDIQSEYDGVGJGQX-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.44
Rot. Bonds5

About 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol

1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 71996715) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID71996715
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccnc2cc(Br)ccc12
InChIInChI=1S/C14H17BrN2O2/c1-17(8-11(18)9-19-2)14-5-6-16-13-7-10(15)3-4-12(13)14/h3-7,11,18H,8-9H2,1-2H3
InChIKeyDIQSEYDGVGJGQX-UHFFFAOYSA-N
XLogP2.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol (CID 71996715) is 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1ccnc2cc(Br)ccc12.
What is the InChIKey of 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is DIQSEYDGVGJGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-17(8-11(18)9-19-2)14-5-6-16-13-7-10(15)3-4-12(13)14/h3-7,11,18H,8-9H2,1-2H3.
What are the key properties of 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 325.21 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 71996715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).