17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

C27H17NO2 — CID 101005282

IUPAC17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
SMILESCc1cccc2cc3c4ccc(C(=O)c5ccccc5)c5cccc(c(=O)n3c12)c54
InChIInChI=1S/C27H17NO2/c1-16-7-5-10-18-15-23-21-14-13-20(26(29)17-8-3-2-4-9-17)19-11-6-12-22(24(19)21)27(30)28(23)25(16)18/h2-15H,1H3
InChIKeyUSNPJCFCWQXYHK-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.74
Rot. Bonds2

About 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one (PubChem CID 101005282) has the molecular formula C27H17NO2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one.

Molecular Properties

Compound Name17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
PubChem CID101005282
Molecular FormulaC27H17NO2
Molecular Weight387.44 g/mol
Exact Mass387.13
IUPAC Name17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
SMILESCc1cccc2cc3c4ccc(C(=O)c5ccccc5)c5cccc(c(=O)n3c12)c54
InChIInChI=1S/C27H17NO2/c1-16-7-5-10-18-15-23-21-14-13-20(26(29)17-8-3-2-4-9-17)19-11-6-12-22(24(19)21)27(30)28(23)25(16)18/h2-15H,1H3
InChIKeyUSNPJCFCWQXYHK-UHFFFAOYSA-N
XLogP5.74
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-benzoyl-2-aza-13-azoniaheptacyclo[16.5.2.14,8.02,13.015,24.021,25.012,26]hexacosa-1(23),4(26),5,7,9,11,13,15(24),16,18(25),21-undecaen-3-one
CID 44654323
8-benzoyl-10-methyl-10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 86089963
indolo[1,2-a]quinolin-6-yl(phenyl)methanone
CID 102044389
8-benzoyl-4-(2,6-dimethylphenyl)imino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 101005281
[9-(4-tert-butylbenzoyl)perylen-3-yl]-(4-tert-butylphenyl)methanone
CID 59978036
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
6,20-dibenzoyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
CID 102226437
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217

Frequently Asked Questions

What is the IUPAC name of 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The IUPAC name of 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one (CID 101005282) is 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one.
What is the SMILES notation for 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The canonical SMILES for 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one is Cc1cccc2cc3c4ccc(C(=O)c5ccccc5)c5cccc(c(=O)n3c12)c54.
What is the InChIKey of 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The InChIKey is USNPJCFCWQXYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO2/c1-16-7-5-10-18-15-23-21-14-13-20(26(29)17-8-3-2-4-9-17)19-11-6-12-22(24(19)21)27(30)28(23)25(16)18/h2-15H,1H3.
What are the key properties of 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one has a molecular weight of 387.44 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-benzoyl-8-methyl-10-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one is sourced from PubChem (CID 101005282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).