CID 140728952

C19H25N3O — CID 140728952

IUPAC—
SMILESCCOC1CCCCC12Cc1ccccc1C21N=C(C)C(N)=N1
InChIInChI=1S/C19H25N3O/c1-3-23-16-10-6-7-11-18(16)12-14-8-4-5-9-15(14)19(18)21-13(2)17(20)22-19/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3,(H2,20,22)
InChIKeyLTDZMHZQZZYSEG-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.19
Rot. Bonds2

About CID 140728952

CID 140728952 (PubChem CID 140728952) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol.

Molecular Properties

Compound NameCID 140728952
PubChem CID140728952
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name—
SMILESCCOC1CCCCC12Cc1ccccc1C21N=C(C)C(N)=N1
InChIInChI=1S/C19H25N3O/c1-3-23-16-10-6-7-11-18(16)12-14-8-4-5-9-15(14)19(18)21-13(2)17(20)22-19/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3,(H2,20,22)
InChIKeyLTDZMHZQZZYSEG-UHFFFAOYSA-N
XLogP3.19
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 140728952?
The IUPAC name of CID 140728952 (CID 140728952) is not available.
What is the SMILES notation for CID 140728952?
The canonical SMILES for CID 140728952 is CCOC1CCCCC12Cc1ccccc1C21N=C(C)C(N)=N1.
What is the InChIKey of CID 140728952?
The InChIKey is LTDZMHZQZZYSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-23-16-10-6-7-11-18(16)12-14-8-4-5-9-15(14)19(18)21-13(2)17(20)22-19/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3,(H2,20,22).
What are the key properties of CID 140728952?
CID 140728952 has a molecular weight of 311.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140728952 is sourced from PubChem (CID 140728952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).