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

C22H17ClN4O4 — CID 4642113

IUPAC2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1
InChIInChI=1S/C22H17ClN4O4/c23-14-5-6-17-16(13-14)21(29)27-7-1-3-15(19(27)24-17)20(28)25-8-10-26(11-9-25)22(30)18-4-2-12-31-18/h1-7,12-13H,8-11H2
InChIKeyXSDWGCBVVGPZHE-UHFFFAOYSA-N
MW436.86 g/mol
LogP2.69
Rot. Bonds2

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

2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one (PubChem CID 4642113) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
PubChem CID4642113
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1
InChIInChI=1S/C22H17ClN4O4/c23-14-5-6-17-16(13-14)21(29)27-7-1-3-15(19(27)24-17)20(28)25-8-10-26(11-9-25)22(30)18-4-2-12-31-18/h1-7,12-13H,8-11H2
InChIKeyXSDWGCBVVGPZHE-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

6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 3617574
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142
2-chloro-N-[(4-chlorophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4243646
6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 3304664
[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 46259650
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 16510395
2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4250016
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 5083314
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one (CID 4642113) is 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one is O=C(c1ccco1)N1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1.
What is the InChIKey of 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The InChIKey is XSDWGCBVVGPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c23-14-5-6-17-16(13-14)21(29)27-7-1-3-15(19(27)24-17)20(28)25-8-10-26(11-9-25)22(30)18-4-2-12-31-18/h1-7,12-13H,8-11H2.
What are the key properties of 2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
2-chloro-6-[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-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 4642113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).