tert-butyl 9-nitroso-9H-acridine-10-carboxylate

C18H18N2O3 — CID 102127033

IUPACtert-butyl 9-nitroso-9H-acridine-10-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2C(N=O)c2ccccc21
InChIInChI=1S/C18H18N2O3/c1-18(2,3)23-17(21)20-14-10-6-4-8-12(14)16(19-22)13-9-5-7-11-15(13)20/h4-11,16H,1-3H3
InChIKeyQRRQRBCUVQBHKT-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.93
Rot. Bonds1

About tert-butyl 9-nitroso-9H-acridine-10-carboxylate

tert-butyl 9-nitroso-9H-acridine-10-carboxylate (PubChem CID 102127033) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl 9-nitroso-9H-acridine-10-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-nitroso-9H-acridine-10-carboxylate
PubChem CID102127033
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nametert-butyl 9-nitroso-9H-acridine-10-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2C(N=O)c2ccccc21
InChIInChI=1S/C18H18N2O3/c1-18(2,3)23-17(21)20-14-10-6-4-8-12(14)16(19-22)13-9-5-7-11-15(13)20/h4-11,16H,1-3H3
InChIKeyQRRQRBCUVQBHKT-UHFFFAOYSA-N
XLogP4.93
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 9H-acridine-10-carboxylate
CID 102499784
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CID 71188473
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tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
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9,10-dinitroso-9,10-dihydroanthracene
CID 56609294
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CID 164672807
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CID 102343189
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-nitroso-9H-acridine-10-carboxylate?
The IUPAC name of tert-butyl 9-nitroso-9H-acridine-10-carboxylate (CID 102127033) is tert-butyl 9-nitroso-9H-acridine-10-carboxylate.
What is the SMILES notation for tert-butyl 9-nitroso-9H-acridine-10-carboxylate?
The canonical SMILES for tert-butyl 9-nitroso-9H-acridine-10-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2C(N=O)c2ccccc21.
What is the InChIKey of tert-butyl 9-nitroso-9H-acridine-10-carboxylate?
The InChIKey is QRRQRBCUVQBHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-18(2,3)23-17(21)20-14-10-6-4-8-12(14)16(19-22)13-9-5-7-11-15(13)20/h4-11,16H,1-3H3.
What are the key properties of tert-butyl 9-nitroso-9H-acridine-10-carboxylate?
tert-butyl 9-nitroso-9H-acridine-10-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-nitroso-9H-acridine-10-carboxylate is sourced from PubChem (CID 102127033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).