3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol

C14H16BrN3O — CID 118101712

IUPAC3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol
SMILESNc1cnc2ccc(Br)cc2c1NC1CCC(O)C1
InChIInChI=1S/C14H16BrN3O/c15-8-1-4-13-11(5-8)14(12(16)7-17-13)18-9-2-3-10(19)6-9/h1,4-5,7,9-10,19H,2-3,6,16H2,(H,17,18)
InChIKeySXVGGHJKLDAPPU-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.90
Rot. Bonds2

About 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol

3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol (PubChem CID 118101712) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol
PubChem CID118101712
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol
SMILESNc1cnc2ccc(Br)cc2c1NC1CCC(O)C1
InChIInChI=1S/C14H16BrN3O/c15-8-1-4-13-11(5-8)14(12(16)7-17-13)18-9-2-3-10(19)6-9/h1,4-5,7,9-10,19H,2-3,6,16H2,(H,17,18)
InChIKeySXVGGHJKLDAPPU-UHFFFAOYSA-N
XLogP2.90
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol (CID 118101712) is 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol is Nc1cnc2ccc(Br)cc2c1NC1CCC(O)C1.
What is the InChIKey of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is SXVGGHJKLDAPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-8-1-4-13-11(5-8)14(12(16)7-17-13)18-9-2-3-10(19)6-9/h1,4-5,7,9-10,19H,2-3,6,16H2,(H,17,18).
What are the key properties of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol?
3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 322.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 118101712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).