4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile

C20H16FN5O — CID 54472249

IUPAC4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile
SMILESN#Cc1ccc2c3n(c(O)c2c1)CCC1(C3)N=C(N)c2c(F)cccc2N1
InChIInChI=1S/C20H16FN5O/c21-14-2-1-3-15-17(14)18(23)25-20(24-15)6-7-26-16(9-20)12-5-4-11(10-22)8-13(12)19(26)27/h1-5,8,24,27H,6-7,9H2,(H2,23,25)
InChIKeyXJDQWYJNHOPGCN-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.83
Rot. Bonds

About 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile

4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile (PubChem CID 54472249) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile.

Molecular Properties

Compound Name4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile
PubChem CID54472249
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile
SMILESN#Cc1ccc2c3n(c(O)c2c1)CCC1(C3)N=C(N)c2c(F)cccc2N1
InChIInChI=1S/C20H16FN5O/c21-14-2-1-3-15-17(14)18(23)25-20(24-15)6-7-26-16(9-20)12-5-4-11(10-22)8-13(12)19(26)27/h1-5,8,24,27H,6-7,9H2,(H2,23,25)
InChIKeyXJDQWYJNHOPGCN-UHFFFAOYSA-N
XLogP2.83
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
The IUPAC name of 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile (CID 54472249) is 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile.
What is the SMILES notation for 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
The canonical SMILES for 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile is N#Cc1ccc2c3n(c(O)c2c1)CCC1(C3)N=C(N)c2c(F)cccc2N1.
What is the InChIKey of 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
The InChIKey is XJDQWYJNHOPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-14-2-1-3-15-17(14)18(23)25-20(24-15)6-7-26-16(9-20)12-5-4-11(10-22)8-13(12)19(26)27/h1-5,8,24,27H,6-7,9H2,(H2,23,25).
What are the key properties of 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile has a molecular weight of 361.38 g/mol, XLogP of 2.83, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile is sourced from PubChem (CID 54472249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).