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

C16H20BrN3O — CID 118101724

IUPAC4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3O/c1-16(21)6-4-11(5-7-16)20-15-12-8-10(17)2-3-14(12)19-9-13(15)18/h2-3,8-9,11,21H,4-7,18H2,1H3,(H,19,20)
InChIKeyAJVCHQYSCBHHOW-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.68
Rot. Bonds2

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

4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol (PubChem CID 118101724) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol
PubChem CID118101724
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3O/c1-16(21)6-4-11(5-7-16)20-15-12-8-10(17)2-3-14(12)19-9-13(15)18/h2-3,8-9,11,21H,4-7,18H2,1H3,(H,19,20)
InChIKeyAJVCHQYSCBHHOW-UHFFFAOYSA-N
XLogP3.68
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol (CID 118101724) is 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol is CC1(O)CCC(Nc2c(N)cnc3ccc(Br)cc23)CC1.
What is the InChIKey of 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol?
The InChIKey is AJVCHQYSCBHHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-16(21)6-4-11(5-7-16)20-15-12-8-10(17)2-3-14(12)19-9-13(15)18/h2-3,8-9,11,21H,4-7,18H2,1H3,(H,19,20).
What are the key properties of 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol?
4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-6-bromoquinolin-4-yl)amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 118101724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).