2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one

C23H22ClN3O2 — CID 53251323

IUPAC2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
SMILESCN1C(=O)c2oc(-c3ccc(Cl)cc3)cc2Cc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C23H22ClN3O2/c1-26-20-7-6-19(27-10-8-25-9-11-27)13-16(20)12-17-14-21(29-22(17)23(26)28)15-2-4-18(24)5-3-15/h2-7,13-14,25H,8-12H2,1H3
InChIKeySIJOROVRMMKDAO-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.19
Rot. Bonds2

About 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one

2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one (PubChem CID 53251323) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
PubChem CID53251323
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
SMILESCN1C(=O)c2oc(-c3ccc(Cl)cc3)cc2Cc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C23H22ClN3O2/c1-26-20-7-6-19(27-10-8-25-9-11-27)13-16(20)12-17-14-21(29-22(17)23(26)28)15-2-4-18(24)5-3-15/h2-7,13-14,25H,8-12H2,1H3
InChIKeySIJOROVRMMKDAO-UHFFFAOYSA-N
XLogP4.19
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
(2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648344
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 130431325
N-(4-acetamidophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 1090755
5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide
CID 1494312
5-(4-chlorophenyl)-N-(2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 2026970
2-(4-chlorophenyl)-8-piperazin-1-yl-5-(pyridin-2-ylmethyl)-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251162
5-[(2-bromophenyl)methyl]-2-(4-chlorophenyl)-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251319
4-(4-Oxo-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-2-yl)benzonitrile
CID 53251321
2-(4-chlorophenyl)-5-(2,2-difluoroethyl)-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251479
2-(4-chlorophenyl)-5-(cyclopropylmethyl)-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251480
2-(4-Chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one
CID 53251635

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one (CID 53251323) is 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one is CN1C(=O)c2oc(-c3ccc(Cl)cc3)cc2Cc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one?
The InChIKey is SIJOROVRMMKDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-26-20-7-6-19(27-10-8-25-9-11-27)13-16(20)12-17-14-21(29-22(17)23(26)28)15-2-4-18(24)5-3-15/h2-7,13-14,25H,8-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one?
2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one has a molecular weight of 407.90 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one is sourced from PubChem (CID 53251323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).