CID 59535568

C20H18BrN4O — CID 59535568

IUPAC—
SMILESCN(C)[CH]C1N=C2CN=C(c3ccccc3)c3cc(Br)ccc3N2C1=O
InChIInChI=1S/C20H18BrN4O/c1-24(2)12-16-20(26)25-17-9-8-14(21)10-15(17)19(22-11-18(25)23-16)13-6-4-3-5-7-13/h3-10,12,16H,11H2,1-2H3
InChIKeyQXRMMFLONNRSLJ-UHFFFAOYSA-N
MW410.30 g/mol
LogP3.14
Rot. Bonds3

About CID 59535568

CID 59535568 (PubChem CID 59535568) has the molecular formula C20H18BrN4O and a molecular weight of 410.30 g/mol.

Molecular Properties

Compound NameCID 59535568
PubChem CID59535568
Molecular FormulaC20H18BrN4O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name—
SMILESCN(C)[CH]C1N=C2CN=C(c3ccccc3)c3cc(Br)ccc3N2C1=O
InChIInChI=1S/C20H18BrN4O/c1-24(2)12-16-20(26)25-17-9-8-14(21)10-15(17)19(22-11-18(25)23-16)13-6-4-3-5-7-13/h3-10,12,16H,11H2,1-2H3
InChIKeyQXRMMFLONNRSLJ-UHFFFAOYSA-N
XLogP3.14
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59535568?
The IUPAC name of CID 59535568 (CID 59535568) is not available.
What is the SMILES notation for CID 59535568?
The canonical SMILES for CID 59535568 is CN(C)[CH]C1N=C2CN=C(c3ccccc3)c3cc(Br)ccc3N2C1=O.
What is the InChIKey of CID 59535568?
The InChIKey is QXRMMFLONNRSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN4O/c1-24(2)12-16-20(26)25-17-9-8-14(21)10-15(17)19(22-11-18(25)23-16)13-6-4-3-5-7-13/h3-10,12,16H,11H2,1-2H3.
What are the key properties of CID 59535568?
CID 59535568 has a molecular weight of 410.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59535568 is sourced from PubChem (CID 59535568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).