2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione

C18H14FN3O2 — CID 122525711

IUPAC2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
SMILESCN(C)Cc1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O
InChIInChI=1S/C18H14FN3O2/c1-21(2)9-10-3-5-14-12(7-10)18(24)22-15-6-4-11(19)8-13(15)16(23)17(22)20-14/h3-8H,9H2,1-2H3
InChIKeyQEMBAUOTJNSDTQ-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.13
Rot. Bonds2

About 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione

2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 122525711) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
PubChem CID122525711
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
SMILESCN(C)Cc1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O
InChIInChI=1S/C18H14FN3O2/c1-21(2)9-10-3-5-14-12(7-10)18(24)22-15-6-4-11(19)8-13(15)16(23)17(22)20-14/h3-8H,9H2,1-2H3
InChIKeyQEMBAUOTJNSDTQ-UHFFFAOYSA-N
XLogP2.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione (CID 122525711) is 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione is CN(C)Cc1ccc2nc3n(c(=O)c2c1)-c1ccc(F)cc1C3=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is QEMBAUOTJNSDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-21(2)9-10-3-5-14-12(7-10)18(24)22-15-6-4-11(19)8-13(15)16(23)17(22)20-14/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 323.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 122525711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).