2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one

C15H7BrFN3O2 — CID 171716044

IUPAC2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one
SMILESO=Nc1c2cc(F)ccc2n2c(=O)c3cc(Br)ccc3[nH]c12
InChIInChI=1S/C15H7BrFN3O2/c16-7-1-3-11-9(5-7)15(21)20-12-4-2-8(17)6-10(12)13(19-22)14(20)18-11/h1-6,18H
InChIKeyNYNSAOVNQYQLBO-UHFFFAOYSA-N
MW360.14 g/mol
LogP4.23
Rot. Bonds1

About 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one

2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one (PubChem CID 171716044) has the molecular formula C15H7BrFN3O2 and a molecular weight of 360.14 g/mol. Its IUPAC name is 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one
PubChem CID171716044
Molecular FormulaC15H7BrFN3O2
Molecular Weight360.14 g/mol
Exact Mass358.97
IUPAC Name2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one
SMILESO=Nc1c2cc(F)ccc2n2c(=O)c3cc(Br)ccc3[nH]c12
InChIInChI=1S/C15H7BrFN3O2/c16-7-1-3-11-9(5-7)15(21)20-12-4-2-8(17)6-10(12)13(19-22)14(20)18-11/h1-6,18H
InChIKeyNYNSAOVNQYQLBO-UHFFFAOYSA-N
XLogP4.23
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-6-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]diazenyl]-5H-indolo[2,1-b]quinazolin-12-one
CID 137314364
3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione
CID 112707458
6-bromo-3-methyl-1H-quinazoline-2,4-dione
CID 3881862
3-(2,2-dimethylpropyl)-6-fluoro-1H-quinazoline-2,4-dione
CID 117261331
2-bromo-6-methoxy-7-nitroso-5H-indeno[2,1-c]quinoline
CID 46211115
6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
CID 1344529
19-bromo-7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 172640020
5-amino-2,9-difluoro-12H-quinolino[2,3-b]acridine-7,14-dione
CID 134313662
6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
CID 786570
6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718439
6-bromo-3-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279105
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one?
The IUPAC name of 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one (CID 171716044) is 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one is O=Nc1c2cc(F)ccc2n2c(=O)c3cc(Br)ccc3[nH]c12.
What is the InChIKey of 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one?
The InChIKey is NYNSAOVNQYQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrFN3O2/c16-7-1-3-11-9(5-7)15(21)20-12-4-2-8(17)6-10(12)13(19-22)14(20)18-11/h1-6,18H.
What are the key properties of 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one?
2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one has a molecular weight of 360.14 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-fluoro-6-nitroso-5H-indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 171716044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).