2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one

C22H17ClN4O4 — CID 3617574

IUPAC2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H17ClN4O4/c23-15-4-5-17-16(12-15)21(29)27-13-14(3-6-19(27)24-17)20(28)25-7-9-26(10-8-25)22(30)18-2-1-11-31-18/h1-6,11-13H,7-10H2
InChIKeyHJDDOLSBQFDKPF-UHFFFAOYSA-N
MW436.86 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one

2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one (PubChem CID 3617574) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
PubChem CID3617574
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H17ClN4O4/c23-15-4-5-17-16(12-15)21(29)27-13-14(3-6-19(27)24-17)20(28)25-7-9-26(10-8-25)22(30)18-2-1-11-31-18/h1-6,11-13H,7-10H2
InChIKeyHJDDOLSBQFDKPF-UHFFFAOYSA-N
XLogP2.69
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 52.69
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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Related Compounds

2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 5215714
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-(furan-2-carbonyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9450440
[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46133830
3-chloro-11-oxo-N-(2-phenylethyl)pyrido[2,1-b]quinazoline-8-carboxamide
CID 3625637
5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 2333179
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 30339776
6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one (CID 3617574) is 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one is O=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The InChIKey is HJDDOLSBQFDKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c23-15-4-5-17-16(12-15)21(29)27-13-14(3-6-19(27)24-17)20(28)25-7-9-26(10-8-25)22(30)18-2-1-11-31-18/h1-6,11-13H,7-10H2.
What are the key properties of 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one has a molecular weight of 436.86 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 3617574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).