2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one

C22H18BrN5O2 — CID 3245885

IUPAC2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1cccn2c(=O)c3cc(Br)ccc3nc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H18BrN5O2/c23-15-6-7-18-17(14-15)22(30)28-9-3-4-16(20(28)25-18)21(29)27-12-10-26(11-13-27)19-5-1-2-8-24-19/h1-9,14H,10-13H2
InChIKeyQJGZXVBWXZUMKW-UHFFFAOYSA-N
MW464.32 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one

2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 3245885) has the molecular formula C22H18BrN5O2 and a molecular weight of 464.32 g/mol. Its IUPAC name is 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
PubChem CID3245885
Molecular FormulaC22H18BrN5O2
Molecular Weight464.32 g/mol
Exact Mass463.06
IUPAC Name2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1cccn2c(=O)c3cc(Br)ccc3nc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H18BrN5O2/c23-15-6-7-18-17(14-15)22(30)28-9-3-4-16(20(28)25-18)21(29)27-12-10-26(11-13-27)19-5-1-2-8-24-19/h1-9,14H,10-13H2
InChIKeyQJGZXVBWXZUMKW-UHFFFAOYSA-N
XLogP2.97
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one (CID 3245885) is 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one is O=C(c1cccn2c(=O)c3cc(Br)ccc3nc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is QJGZXVBWXZUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O2/c23-15-6-7-18-17(14-15)22(30)28-9-3-4-16(20(28)25-18)21(29)27-12-10-26(11-13-27)19-5-1-2-8-24-19/h1-9,14H,10-13H2.
What are the key properties of 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 464.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 3245885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).