(2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol

C19H16ClFN4O — CID 54324158

IUPAC(2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
SMILESNC1=N[C@@]2(CCn3c(O)c4cccc(Cl)c4c3C2)Nc2cccc(F)c21
InChIInChI=1S/C19H16ClFN4O/c20-11-4-1-3-10-15(11)14-9-19(7-8-25(14)18(10)26)23-13-6-2-5-12(21)16(13)17(22)24-19/h1-6,23,26H,7-9H2,(H2,22,24)/t19-/m1/s1
InChIKeySTSUMTOYADBIEQ-LJQANCHMSA-N
MW370.82 g/mol
LogP3.61
Rot. Bonds

About (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol

(2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol (PubChem CID 54324158) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol.

Molecular Properties

Compound Name(2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
PubChem CID54324158
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name(2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
SMILESNC1=N[C@@]2(CCn3c(O)c4cccc(Cl)c4c3C2)Nc2cccc(F)c21
InChIInChI=1S/C19H16ClFN4O/c20-11-4-1-3-10-15(11)14-9-19(7-8-25(14)18(10)26)23-13-6-2-5-12(21)16(13)17(22)24-19/h1-6,23,26H,7-9H2,(H2,22,24)/t19-/m1/s1
InChIKeySTSUMTOYADBIEQ-LJQANCHMSA-N
XLogP3.61
TPSA75.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-4-amino-10'-chloro-5-fluorospiro[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 (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The IUPAC name of (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol (CID 54324158) is (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol.
What is the SMILES notation for (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The canonical SMILES for (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol is NC1=N[C@@]2(CCn3c(O)c4cccc(Cl)c4c3C2)Nc2cccc(F)c21.
What is the InChIKey of (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The InChIKey is STSUMTOYADBIEQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-11-4-1-3-10-15(11)14-9-19(7-8-25(14)18(10)26)23-13-6-2-5-12(21)16(13)17(22)24-19/h1-6,23,26H,7-9H2,(H2,22,24)/t19-/m1/s1.
What are the key properties of (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
(2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol has a molecular weight of 370.82 g/mol, XLogP of 3.61, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol is sourced from PubChem (CID 54324158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).