N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide

C23H16F2N2O2 — CID 145420594

IUPACN-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide
SMILESCc1ccc2c(c1)cc1n2C(c2cc(F)cc(F)c2)Oc2cc(NC=O)ccc2-1
InChIInChI=1S/C23H16F2N2O2/c1-13-2-5-20-14(6-13)9-21-19-4-3-18(26-12-28)11-22(19)29-23(27(20)21)15-7-16(24)10-17(25)8-15/h2-12,23H,1H3,(H,26,28)
InChIKeyWVQUMXGJIDHYAE-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.40
Rot. Bonds3

About N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide

N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide (PubChem CID 145420594) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide.

Molecular Properties

Compound NameN-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide
PubChem CID145420594
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC NameN-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide
SMILESCc1ccc2c(c1)cc1n2C(c2cc(F)cc(F)c2)Oc2cc(NC=O)ccc2-1
InChIInChI=1S/C23H16F2N2O2/c1-13-2-5-20-14(6-13)9-21-19-4-3-18(26-12-28)11-22(19)29-23(27(20)21)15-7-16(24)10-17(25)8-15/h2-12,23H,1H3,(H,26,28)
InChIKeyWVQUMXGJIDHYAE-UHFFFAOYSA-N
XLogP5.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide?
The IUPAC name of N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide (CID 145420594) is N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide.
What is the SMILES notation for N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide?
The canonical SMILES for N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide is Cc1ccc2c(c1)cc1n2C(c2cc(F)cc(F)c2)Oc2cc(NC=O)ccc2-1.
What is the InChIKey of N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide?
The InChIKey is WVQUMXGJIDHYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c1-13-2-5-20-14(6-13)9-21-19-4-3-18(26-12-28)11-22(19)29-23(27(20)21)15-7-16(24)10-17(25)8-15/h2-12,23H,1H3,(H,26,28).
What are the key properties of N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide?
N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide has a molecular weight of 390.39 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-difluorophenyl)-10-methyl-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]formamide is sourced from PubChem (CID 145420594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).