10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one

C19H12N2O — CID 24814415

IUPAC10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
SMILESO=c1c2ccccc2cc2n1Cc1nc3ccccc3cc1-2
InChIInChI=1S/C19H12N2O/c22-19-14-7-3-1-5-12(14)10-18-15-9-13-6-2-4-8-16(13)20-17(15)11-21(18)19/h1-10H,11H2
InChIKeySQFNRACYVGQAFZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.58
Rot. Bonds

About 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one

10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one (PubChem CID 24814415) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one.

Molecular Properties

Compound Name10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
PubChem CID24814415
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
SMILESO=c1c2ccccc2cc2n1Cc1nc3ccccc3cc1-2
InChIInChI=1S/C19H12N2O/c22-19-14-7-3-1-5-12(14)10-18-15-9-13-6-2-4-8-16(13)20-17(15)11-21(18)19/h1-10H,11H2
InChIKeySQFNRACYVGQAFZ-UHFFFAOYSA-N
XLogP3.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one with MolForge

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Related Compounds

2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 140533296
10-[(dimethylamino)methyl]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
CID 24949391
2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242235
2-(4-tert-butylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 71304960
2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 1490604
3,4-dihydro-2H-acridin-1-one;dihydrochloride
CID 142633980
3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
CID 140981878
12-(hydroxymethyl)-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
CID 11500618
2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
CID 130399990
pyridazino[4,5-b]quinoline-1,4-dione
CID 73192756
3-phenyl-2-propylisoquinolin-1-one
CID 102338692
CID 169426811
CID 169426811

Frequently Asked Questions

What is the IUPAC name of 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
The IUPAC name of 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one (CID 24814415) is 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one.
What is the SMILES notation for 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
The canonical SMILES for 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one is O=c1c2ccccc2cc2n1Cc1nc3ccccc3cc1-2.
What is the InChIKey of 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
The InChIKey is SQFNRACYVGQAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c22-19-14-7-3-1-5-12(14)10-18-15-9-13-6-2-4-8-16(13)20-17(15)11-21(18)19/h1-10H,11H2.
What are the key properties of 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one has a molecular weight of 284.32 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one is sourced from PubChem (CID 24814415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).