CID 58198140

C22H25N3O — CID 58198140

IUPAC—
SMILESCc1ccc2c(c1)C1(N=C(N)N(C)O1)C1(CCc3ccccc3CC1)C2
InChIInChI=1S/C22H25N3O/c1-15-7-8-18-14-21(11-9-16-5-3-4-6-17(16)10-12-21)22(19(18)13-15)24-20(23)25(2)26-22/h3-8,13H,9-12,14H2,1-2H3,(H2,23,24)
InChIKeyRKOLTLBIECJKPO-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.46
Rot. Bonds

About CID 58198140

CID 58198140 (PubChem CID 58198140) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol.

Molecular Properties

Compound NameCID 58198140
PubChem CID58198140
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name—
SMILESCc1ccc2c(c1)C1(N=C(N)N(C)O1)C1(CCc3ccccc3CC1)C2
InChIInChI=1S/C22H25N3O/c1-15-7-8-18-14-21(11-9-16-5-3-4-6-17(16)10-12-21)22(19(18)13-15)24-20(23)25(2)26-22/h3-8,13H,9-12,14H2,1-2H3,(H2,23,24)
InChIKeyRKOLTLBIECJKPO-UHFFFAOYSA-N
XLogP3.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58198140?
The IUPAC name of CID 58198140 (CID 58198140) is not available.
What is the SMILES notation for CID 58198140?
The canonical SMILES for CID 58198140 is Cc1ccc2c(c1)C1(N=C(N)N(C)O1)C1(CCc3ccccc3CC1)C2.
What is the InChIKey of CID 58198140?
The InChIKey is RKOLTLBIECJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-7-8-18-14-21(11-9-16-5-3-4-6-17(16)10-12-21)22(19(18)13-15)24-20(23)25(2)26-22/h3-8,13H,9-12,14H2,1-2H3,(H2,23,24).
What are the key properties of CID 58198140?
CID 58198140 has a molecular weight of 347.46 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58198140 is sourced from PubChem (CID 58198140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).