2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione

C27H27N3O2 — CID 15326833

IUPAC2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c(N3CCCCC3)cc(N3CCCCC3)nc21
InChIInChI=1S/C27H27N3O2/c31-26-18-9-3-4-10-19(18)27(32)24-21(26)12-11-20-22(29-13-5-1-6-14-29)17-23(28-25(20)24)30-15-7-2-8-16-30/h3-4,9-12,17H,1-2,5-8,13-16H2
InChIKeyOKUJOEMMGGKFQP-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.99
Rot. Bonds2

About 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione

2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione (PubChem CID 15326833) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione.

Molecular Properties

Compound Name2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione
PubChem CID15326833
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c(N3CCCCC3)cc(N3CCCCC3)nc21
InChIInChI=1S/C27H27N3O2/c31-26-18-9-3-4-10-19(18)27(32)24-21(26)12-11-20-22(29-13-5-1-6-14-29)17-23(28-25(20)24)30-15-7-2-8-16-30/h3-4,9-12,17H,1-2,5-8,13-16H2
InChIKeyOKUJOEMMGGKFQP-UHFFFAOYSA-N
XLogP4.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione?
The IUPAC name of 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione (CID 15326833) is 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione.
What is the SMILES notation for 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione?
The canonical SMILES for 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione is O=C1c2ccccc2C(=O)c2c1ccc1c(N3CCCCC3)cc(N3CCCCC3)nc21.
What is the InChIKey of 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione?
The InChIKey is OKUJOEMMGGKFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-26-18-9-3-4-10-19(18)27(32)24-21(26)12-11-20-22(29-13-5-1-6-14-29)17-23(28-25(20)24)30-15-7-2-8-16-30/h3-4,9-12,17H,1-2,5-8,13-16H2.
What are the key properties of 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione?
2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione has a molecular weight of 425.53 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione is sourced from PubChem (CID 15326833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).