(2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one

C20H19FN4O — CID 59951704

IUPAC(2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one
SMILESCc1cccc2c1C(=O)N1CC[C@]3(C[C@@H]21)N=C(N)c1c(F)cccc1N3
InChIInChI=1S/C20H19FN4O/c1-11-4-2-5-12-15-10-20(8-9-25(15)19(26)16(11)12)23-14-7-3-6-13(21)17(14)18(22)24-20/h2-7,15,23H,8-10H2,1H3,(H2,22,24)/t15-,20+/m0/s1
InChIKeyPIIVVCNRZOYHOQ-MGPUTAFESA-N
MW350.40 g/mol
LogP2.95
Rot. Bonds

About (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one

(2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one (PubChem CID 59951704) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one.

Molecular Properties

Compound Name(2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one
PubChem CID59951704
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one
SMILESCc1cccc2c1C(=O)N1CC[C@]3(C[C@@H]21)N=C(N)c1c(F)cccc1N3
InChIInChI=1S/C20H19FN4O/c1-11-4-2-5-12-15-10-20(8-9-25(15)19(26)16(11)12)23-14-7-3-6-13(21)17(14)18(22)24-20/h2-7,15,23H,8-10H2,1H3,(H2,22,24)/t15-,20+/m0/s1
InChIKeyPIIVVCNRZOYHOQ-MGPUTAFESA-N
XLogP2.95
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one?
The IUPAC name of (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one (CID 59951704) is (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one.
What is the SMILES notation for (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one?
The canonical SMILES for (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one is Cc1cccc2c1C(=O)N1CC[C@]3(C[C@@H]21)N=C(N)c1c(F)cccc1N3.
What is the InChIKey of (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one?
The InChIKey is PIIVVCNRZOYHOQ-MGPUTAFESA-N. The full InChI is InChI=1S/C20H19FN4O/c1-11-4-2-5-12-15-10-20(8-9-25(15)19(26)16(11)12)23-14-7-3-6-13(21)17(14)18(22)24-20/h2-7,15,23H,8-10H2,1H3,(H2,22,24)/t15-,20+/m0/s1.
What are the key properties of (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one?
(2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one has a molecular weight of 350.40 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10bS)-4'-amino-5'-fluoro-7-methylspiro[1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,2'-1H-quinazoline]-6-one is sourced from PubChem (CID 59951704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).