2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol

C21H13N3O3 — CID 135908680

IUPAC2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2nc3ccccc3c3cc4ccccc4n23)c1
InChIInChI=1S/C21H13N3O3/c25-20-10-9-14(24(26)27)12-16(20)21-22-17-7-3-2-6-15(17)19-11-13-5-1-4-8-18(13)23(19)21/h1-12,25H
InChIKeyRWIMXYOFBIIVLB-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.92
Rot. Bonds2

About 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol

2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol (PubChem CID 135908680) has the molecular formula C21H13N3O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol.

Molecular Properties

Compound Name2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol
PubChem CID135908680
Molecular FormulaC21H13N3O3
Molecular Weight355.35 g/mol
Exact Mass355.10
IUPAC Name2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2nc3ccccc3c3cc4ccccc4n23)c1
InChIInChI=1S/C21H13N3O3/c25-20-10-9-14(24(26)27)12-16(20)21-22-17-7-3-2-6-15(17)19-11-13-5-1-4-8-18(13)23(19)21/h1-12,25H
InChIKeyRWIMXYOFBIIVLB-UHFFFAOYSA-N
XLogP4.92
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-nitrophenol
CID 3956379
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2-(6-nitro-4-phenylquinolin-2-yl)benzene-1,4-diol;hydrochloride
CID 135882421
2-[(acridin-9-ylamino)methyl]-4-nitrophenol
CID 45103228
3-nitroacridin-9-amine
CID 26592
2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)-4-nitrophenol
CID 135429496
2-(6-nitro-1,3-benzothiazol-2-yl)phenol
CID 162639439
3-(2-methyl-4-nitrophenyl)-2-phenylquinazolin-4-one
CID 1107668
2-(2-bromophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 59754361
1-cyclopropyl-5-nitro-2-phenylbenzimidazole
CID 46942056
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952
tert-butyl 2-(2-chloro-5-nitrophenyl)benzimidazole-1-carboxylate
CID 90031467

Frequently Asked Questions

What is the IUPAC name of 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol?
The IUPAC name of 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol (CID 135908680) is 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol.
What is the SMILES notation for 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol?
The canonical SMILES for 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(-c2nc3ccccc3c3cc4ccccc4n23)c1.
What is the InChIKey of 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol?
The InChIKey is RWIMXYOFBIIVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3/c25-20-10-9-14(24(26)27)12-16(20)21-22-17-7-3-2-6-15(17)19-11-13-5-1-4-8-18(13)23(19)21/h1-12,25H.
What are the key properties of 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol?
2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol has a molecular weight of 355.35 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol is sourced from PubChem (CID 135908680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).