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

C19H17FN4O — CID 54237801

IUPAC(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
SMILESNC1=N[C@@]2(CCn3c(O)c4ccccc4c3C2)Nc2cccc(F)c21
InChIInChI=1S/C19H17FN4O/c20-13-6-3-7-14-16(13)17(21)23-19(22-14)8-9-24-15(10-19)11-4-1-2-5-12(11)18(24)25/h1-7,22,25H,8-10H2,(H2,21,23)/t19-/m1/s1
InChIKeyQNUUGNDTJWMRHD-LJQANCHMSA-N
MW336.37 g/mol
LogP2.96
Rot. Bonds

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

(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol (PubChem CID 54237801) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol.

Molecular Properties

Compound Name(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
PubChem CID54237801
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
SMILESNC1=N[C@@]2(CCn3c(O)c4ccccc4c3C2)Nc2cccc(F)c21
InChIInChI=1S/C19H17FN4O/c20-13-6-3-7-14-16(13)17(21)23-19(22-14)8-9-24-15(10-19)11-4-1-2-5-12(11)18(24)25/h1-7,22,25H,8-10H2,(H2,21,23)/t19-/m1/s1
InChIKeyQNUUGNDTJWMRHD-LJQANCHMSA-N
XLogP2.96
TPSA75.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The IUPAC name of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol (CID 54237801) is (2R)-4-amino-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-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The canonical SMILES for (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol is NC1=N[C@@]2(CCn3c(O)c4ccccc4c3C2)Nc2cccc(F)c21.
What is the InChIKey of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
The InChIKey is QNUUGNDTJWMRHD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-13-6-3-7-14-16(13)17(21)23-19(22-14)8-9-24-15(10-19)11-4-1-2-5-12(11)18(24)25/h1-7,22,25H,8-10H2,(H2,21,23)/t19-/m1/s1.
What are the key properties of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol?
(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol has a molecular weight of 336.37 g/mol, XLogP of 2.96, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol is sourced from PubChem (CID 54237801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).