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

C23H20N4O2 — CID 3304664

IUPAC6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H20N4O2/c28-22(26-15-13-25(14-16-26)17-7-2-1-3-8-17)19-10-6-12-27-21(19)24-20-11-5-4-9-18(20)23(27)29/h1-12H,13-16H2
InChIKeyQEPHTORLWZTOEC-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.81
Rot. Bonds2

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

6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one (PubChem CID 3304664) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
PubChem CID3304664
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H20N4O2/c28-22(26-15-13-25(14-16-26)17-7-2-1-3-8-17)19-10-6-12-27-21(19)24-20-11-5-4-9-18(20)23(27)29/h1-12H,13-16H2
InChIKeyQEPHTORLWZTOEC-UHFFFAOYSA-N
XLogP2.81
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.81
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-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 5083148
6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 5083314
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 3454528
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
6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid
CID 44783189
2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
CID 5094742
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one (CID 3304664) is 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one is O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
The InChIKey is QEPHTORLWZTOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(26-15-13-25(14-16-26)17-7-2-1-3-8-17)19-10-6-12-27-21(19)24-20-11-5-4-9-18(20)23(27)29/h1-12H,13-16H2.
What are the key properties of 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one?
6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one has a molecular weight of 384.44 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 3304664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).