6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile

C17H9F2N5O — CID 176812807

IUPAC6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile
SMILESN#Cc1c(N)cc(F)c(F)c1Oc1ccc2ncn3ccnc3c2c1
InChIInChI=1S/C17H9F2N5O/c18-12-6-13(21)11(7-20)16(15(12)19)25-9-1-2-14-10(5-9)17-22-3-4-24(17)8-23-14/h1-6,8H,21H2
InChIKeyMLJUKJUVTDUTFJ-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.41
Rot. Bonds2

About 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile

6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile (PubChem CID 176812807) has the molecular formula C17H9F2N5O and a molecular weight of 337.29 g/mol. Its IUPAC name is 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile.

Molecular Properties

Compound Name6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile
PubChem CID176812807
Molecular FormulaC17H9F2N5O
Molecular Weight337.29 g/mol
Exact Mass337.08
IUPAC Name6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile
SMILESN#Cc1c(N)cc(F)c(F)c1Oc1ccc2ncn3ccnc3c2c1
InChIInChI=1S/C17H9F2N5O/c18-12-6-13(21)11(7-20)16(15(12)19)25-9-1-2-14-10(5-9)17-22-3-4-24(17)8-23-14/h1-6,8H,21H2
InChIKeyMLJUKJUVTDUTFJ-UHFFFAOYSA-N
XLogP3.41
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3,4-difluoro-2-[3-(2-fluoroethyl)-4-oxoquinazolin-6-yl]oxybenzonitrile
CID 176812814
6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile
CID 167237494
6-amino-3-fluoro-2-[3-(1-oxa-8-azaspiro[4.5]decan-3-yl)-4-oxoquinazolin-6-yl]oxybenzonitrile;ethane
CID 177011459
hydron;imidazo[1,2-c]quinazoline
CID 174874267
N-[2-cyano-4,5-difluoro-3-[3-(2-fluoroethyl)-4-oxoquinazolin-6-yl]oxyphenyl]-2-azaspiro[3.3]heptane-2-sulfonamide
CID 176812810
N-[2-cyano-4-fluoro-3-(3-fluoroimidazo[1,2-c]quinazolin-9-yl)oxyphenyl]-2-azaspiro[3.3]heptane-2-sulfonamide
CID 176812816
3,6-difluoro-2-[4-oxo-3-[(3R)-8-oxo-1-oxaspiro[4.5]decan-3-yl]quinazolin-6-yl]oxybenzonitrile
CID 166168336
N-[2-cyano-4-fluoro-3-(3-methoxy-4-oxoquinazolin-6-yl)oxyphenyl]-2-(fluoromethyl)azetidine-1-sulfonamide
CID 176812879
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile
CID 122695285
tert-butyl N-[3-[6-(2-cyano-3,6-difluorophenoxy)-4-oxoquinazolin-3-yl]propyl]carbamate
CID 164529525
8-(4-chloro-3-fluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 82719370

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile?
The IUPAC name of 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile (CID 176812807) is 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile.
What is the SMILES notation for 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile?
The canonical SMILES for 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile is N#Cc1c(N)cc(F)c(F)c1Oc1ccc2ncn3ccnc3c2c1.
What is the InChIKey of 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile?
The InChIKey is MLJUKJUVTDUTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N5O/c18-12-6-13(21)11(7-20)16(15(12)19)25-9-1-2-14-10(5-9)17-22-3-4-24(17)8-23-14/h1-6,8H,21H2.
What are the key properties of 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile?
6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile has a molecular weight of 337.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile is sourced from PubChem (CID 176812807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).