N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide

C20H16FN3O4 — CID 57298992

IUPACN-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)c1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(F)ccc1-3
InChIInChI=1S/C20H16FN3O4/c1-20(2,3)28-23(10-25)12-5-6-13-15(9-12)22-18-17(26)14-8-11(21)4-7-16(14)24(18)19(13)27/h4-10H,1-3H3
InChIKeyLWHBCLHCOWQMKD-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.76
Rot. Bonds3

About N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide

N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57298992) has the molecular formula C20H16FN3O4 and a molecular weight of 381.36 g/mol. Its IUPAC name is N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57298992
Molecular FormulaC20H16FN3O4
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC NameN-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)c1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(F)ccc1-3
InChIInChI=1S/C20H16FN3O4/c1-20(2,3)28-23(10-25)12-5-6-13-15(9-12)22-18-17(26)14-8-11(21)4-7-16(14)24(18)19(13)27/h4-10H,1-3H3
InChIKeyLWHBCLHCOWQMKD-UHFFFAOYSA-N
XLogP2.76
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tryptanthrin
CID 73549
8-Fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478574
8-Methylindolo[2,1-b]quinazoline-6,12-dione
CID 478577
2,8-Difluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478643
2-Fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 478645
2-(Dimethylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 85469242
8-Fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 91758737
2-[(4-Methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 122525709
2-[(Dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 122525711
8-Fluoro-2-(morpholin-4-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
CID 122606362
Tert-butyl 4-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)methyl]piperazine-1-carboxylate
CID 122608329
(8-Fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)boronic acid
CID 156014359

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57298992) is N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)c1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(F)ccc1-3.
What is the InChIKey of N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is LWHBCLHCOWQMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4/c1-20(2,3)28-23(10-25)12-5-6-13-15(9-12)22-18-17(26)14-8-11(21)4-7-16(14)24(18)19(13)27/h4-10H,1-3H3.
What are the key properties of N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide?
N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 381.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57298992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).