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

C22H20N5O2+ — CID 5083314

IUPAC6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C22H19N5O2/c28-21(26-14-12-25(13-15-26)19-9-3-4-10-23-19)17-7-5-11-27-20(17)24-18-8-2-1-6-16(18)22(27)29/h1-11H,12-15H2/p+1
InChIKeyHFFAHNMPSUYDRO-UHFFFAOYSA-O
MW386.44 g/mol
LogP1.62
Rot. Bonds2

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

6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 5083314) has the molecular formula C22H20N5O2+ and a molecular weight of 386.44 g/mol. Its IUPAC name is 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
PubChem CID5083314
Molecular FormulaC22H20N5O2+
Molecular Weight386.44 g/mol
Exact Mass386.16
IUPAC Name6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C22H19N5O2/c28-21(26-14-12-25(13-15-26)19-9-3-4-10-23-19)17-7-5-11-27-20(17)24-18-8-2-1-6-16(18)22(27)29/h1-11H,12-15H2/p+1
InChIKeyHFFAHNMPSUYDRO-UHFFFAOYSA-O
XLogP1.62
TPSA72.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 3304664
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 3454528
6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 5083148
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
CID 5094742
6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
10-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaen-2-one
CID 4178688
10-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaen-2-one
CID 15994215
1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7015548
(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7162064
1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 7324529
3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 4743077

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one (CID 5083314) is 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one is O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2cccc[nH+]2)CC1.
What is the InChIKey of 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is HFFAHNMPSUYDRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19N5O2/c28-21(26-14-12-25(13-15-26)19-9-3-4-10-23-19)17-7-5-11-27-20(17)24-18-8-2-1-6-16(18)22(27)29/h1-11H,12-15H2/p+1.
What are the key properties of 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 386.44 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 5083314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).