4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol

C20H19FN4O2 — CID 54082497

IUPAC4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
SMILESCOc1ccc2c3n(c(O)c2c1)CCC1(C3)N=C(N)c2c(F)cccc2N1
InChIInChI=1S/C20H19FN4O2/c1-27-11-5-6-12-13(9-11)19(26)25-8-7-20(10-16(12)25)23-15-4-2-3-14(21)17(15)18(22)24-20/h2-6,9,23,26H,7-8,10H2,1H3,(H2,22,24)
InChIKeyMOBWQIBUZIWBIW-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.97
Rot. Bonds1

About 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol

4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol (PubChem CID 54082497) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol.

Molecular Properties

Compound Name4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
PubChem CID54082497
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
SMILESCOc1ccc2c3n(c(O)c2c1)CCC1(C3)N=C(N)c2c(F)cccc2N1
InChIInChI=1S/C20H19FN4O2/c1-27-11-5-6-12-13(9-11)19(26)25-8-7-20(10-16(12)25)23-15-4-2-3-14(21)17(15)18(22)24-20/h2-6,9,23,26H,7-8,10H2,1H3,(H2,22,24)
InChIKeyMOBWQIBUZIWBIW-UHFFFAOYSA-N
XLogP2.97
TPSA84.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The IUPAC name of 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol (CID 54082497) is 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol.
What is the SMILES notation for 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The canonical SMILES for 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol is COc1ccc2c3n(c(O)c2c1)CCC1(C3)N=C(N)c2c(F)cccc2N1.
What is the InChIKey of 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The InChIKey is MOBWQIBUZIWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-11-5-6-12-13(9-11)19(26)25-8-7-20(10-16(12)25)23-15-4-2-3-14(21)17(15)18(22)24-20/h2-6,9,23,26H,7-8,10H2,1H3,(H2,22,24).
What are the key properties of 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol has a molecular weight of 366.40 g/mol, XLogP of 2.97, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-8'-methoxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol is sourced from PubChem (CID 54082497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).