CID 123809707

C15H23BN4O2 — CID 123809707

IUPAC—
SMILES[B]C1=Cc2c(C)nc(NCC)nc2N(CCCOCC)C1O
InChIInChI=1S/C15H23BN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9,14,21H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyRIBNFAXCQAKZPL-UHFFFAOYSA-N
MW302.19 g/mol
LogP1.29
Rot. Bonds7

About CID 123809707

CID 123809707 (PubChem CID 123809707) has the molecular formula C15H23BN4O2 and a molecular weight of 302.19 g/mol.

Molecular Properties

Compound NameCID 123809707
PubChem CID123809707
Molecular FormulaC15H23BN4O2
Molecular Weight302.19 g/mol
Exact Mass302.19
IUPAC Name—
SMILES[B]C1=Cc2c(C)nc(NCC)nc2N(CCCOCC)C1O
InChIInChI=1S/C15H23BN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9,14,21H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyRIBNFAXCQAKZPL-UHFFFAOYSA-N
XLogP1.29
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123809707?
The IUPAC name of CID 123809707 (CID 123809707) is not available.
What is the SMILES notation for CID 123809707?
The canonical SMILES for CID 123809707 is [B]C1=Cc2c(C)nc(NCC)nc2N(CCCOCC)C1O.
What is the InChIKey of CID 123809707?
The InChIKey is RIBNFAXCQAKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9,14,21H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of CID 123809707?
CID 123809707 has a molecular weight of 302.19 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123809707 is sourced from PubChem (CID 123809707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).