CID 166460727

C15H18BrN3O2 — CID 166460727

IUPAC—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC1)CNC2
InChIInChI=1S/C15H18BrN3O2/c1-9-6-10(16)13(21)19-11(9)12(20)18-15(19)4-2-14(3-5-15)7-17-8-14/h6,17H,2-5,7-8H2,1H3,(H,18,20)
InChIKeyKQJXPFRKAMTCPV-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.48
Rot. Bonds

About CID 166460727

CID 166460727 (PubChem CID 166460727) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol.

Molecular Properties

Compound NameCID 166460727
PubChem CID166460727
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC1)CNC2
InChIInChI=1S/C15H18BrN3O2/c1-9-6-10(16)13(21)19-11(9)12(20)18-15(19)4-2-14(3-5-15)7-17-8-14/h6,17H,2-5,7-8H2,1H3,(H,18,20)
InChIKeyKQJXPFRKAMTCPV-UHFFFAOYSA-N
XLogP1.48
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 166460727?
The IUPAC name of CID 166460727 (CID 166460727) is not available.
What is the SMILES notation for CID 166460727?
The canonical SMILES for CID 166460727 is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC1)CNC2.
What is the InChIKey of CID 166460727?
The InChIKey is KQJXPFRKAMTCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9-6-10(16)13(21)19-11(9)12(20)18-15(19)4-2-14(3-5-15)7-17-8-14/h6,17H,2-5,7-8H2,1H3,(H,18,20).
What are the key properties of CID 166460727?
CID 166460727 has a molecular weight of 352.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166460727 is sourced from PubChem (CID 166460727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).