CID 58197281

C16H20BrN3O3 — CID 58197281

IUPAC—
SMILESCOC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C16H20BrN3O3/c1-20-14(18)19-16(23-20)12-9-10(17)3-4-13(12)22-15(16)7-5-11(21-2)6-8-15/h3-4,9,11H,5-8H2,1-2H3,(H2,18,19)
InChIKeyQYUZAXLLOPFCCQ-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.51
Rot. Bonds1

About CID 58197281

CID 58197281 (PubChem CID 58197281) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol.

Molecular Properties

Compound NameCID 58197281
PubChem CID58197281
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name—
SMILESCOC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C16H20BrN3O3/c1-20-14(18)19-16(23-20)12-9-10(17)3-4-13(12)22-15(16)7-5-11(21-2)6-8-15/h3-4,9,11H,5-8H2,1-2H3,(H2,18,19)
InChIKeyQYUZAXLLOPFCCQ-UHFFFAOYSA-N
XLogP2.51
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 58197281 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162001250
CID 162001250
CID 58197521
CID 58197521
CID 58197612
CID 58197612
CID 58198198
CID 58198198
CID 58198326
CID 58198326
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
CID 58424261
CID 58424261
CID 58424720
CID 58424720
6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine
CID 118597098
CID 123848774
CID 123848774
3'-bromo-2-methyl-7'-phenylspiro[1,2,4-oxadiazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-3-amine
CID 143944606
CID 161321330
CID 161321330

Frequently Asked Questions

What is the IUPAC name of CID 58197281?
The IUPAC name of CID 58197281 (CID 58197281) is not available.
What is the SMILES notation for CID 58197281?
The canonical SMILES for CID 58197281 is COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197281?
The InChIKey is QYUZAXLLOPFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-20-14(18)19-16(23-20)12-9-10(17)3-4-13(12)22-15(16)7-5-11(21-2)6-8-15/h3-4,9,11H,5-8H2,1-2H3,(H2,18,19).
What are the key properties of CID 58197281?
CID 58197281 has a molecular weight of 382.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197281 is sourced from PubChem (CID 58197281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).