CID 122172741

C24H23N3O2 — CID 122172741

IUPAC—
SMILESCC#Cc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCc3ccccc3CC1)O2
InChIInChI=1S/C24H23N3O2/c1-3-6-16-9-10-20-19(15-16)24(21(28)27(2)22(25)26-24)23(29-20)13-11-17-7-4-5-8-18(17)12-14-23/h4-5,7-10,15H,11-14H2,1-2H3,(H2,25,26)
InChIKeySCOAXRZQGKIKMZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.75
Rot. Bonds

About CID 122172741

CID 122172741 (PubChem CID 122172741) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol.

Molecular Properties

Compound NameCID 122172741
PubChem CID122172741
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name—
SMILESCC#Cc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCc3ccccc3CC1)O2
InChIInChI=1S/C24H23N3O2/c1-3-6-16-9-10-20-19(15-16)24(21(28)27(2)22(25)26-24)23(29-20)13-11-17-7-4-5-8-18(17)12-14-23/h4-5,7-10,15H,11-14H2,1-2H3,(H2,25,26)
InChIKeySCOAXRZQGKIKMZ-UHFFFAOYSA-N
XLogP2.75
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 122172741?
The IUPAC name of CID 122172741 (CID 122172741) is not available.
What is the SMILES notation for CID 122172741?
The canonical SMILES for CID 122172741 is CC#Cc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCc3ccccc3CC1)O2.
What is the InChIKey of CID 122172741?
The InChIKey is SCOAXRZQGKIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-6-16-9-10-20-19(15-16)24(21(28)27(2)22(25)26-24)23(29-20)13-11-17-7-4-5-8-18(17)12-14-23/h4-5,7-10,15H,11-14H2,1-2H3,(H2,25,26).
What are the key properties of CID 122172741?
CID 122172741 has a molecular weight of 385.47 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122172741 is sourced from PubChem (CID 122172741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).