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

C20H15F2N5O — CID 54243312

IUPAC4-amino-5,8-difluoro-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)ccc(F)c2N1
InChIInChI=1S/C20H15F2N5O/c21-13-3-4-14(22)17-16(13)18(24)26-20(25-17)5-6-27-15(8-20)11-2-1-10(9-23)7-12(11)19(27)28/h1-4,7,25,28H,5-6,8H2,(H2,24,26)
InChIKeyQRNDCIVPXUEXNV-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.97
Rot. Bonds

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

4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile (PubChem CID 54243312) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile.

Molecular Properties

Compound Name4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile
PubChem CID54243312
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name4-amino-5,8-difluoro-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)ccc(F)c2N1
InChIInChI=1S/C20H15F2N5O/c21-13-3-4-14(22)17-16(13)18(24)26-20(25-17)5-6-27-15(8-20)11-2-1-10(9-23)7-12(11)19(27)28/h1-4,7,25,28H,5-6,8H2,(H2,24,26)
InChIKeyQRNDCIVPXUEXNV-UHFFFAOYSA-N
XLogP2.97
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2Z)-1H-benzimidazol-2-yl[1-(2-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]ethanenitrile
CID 135451180
(2R)-4-amino-5-fluoro-7'-methylspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 53704875
(2R)-4-amino-7'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 53761074
(2R)-4-amino-8'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 53792836
(2R)-4-amino-5-fluoro-8'-methylspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 53837873
(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,8'-9,10-dihydro-7H-naphtho[2,1-a]indolizine]-12'-ol
CID 53885306
(2R)-4-amino-9'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 53987207
(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol
CID 54091219
(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 54237801
(2R)-4-amino-10'-chloro-5-fluorospiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 54324158
4-amino-5-fluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile
CID 54472249
9-Phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90769493

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
The IUPAC name of 4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile (CID 54243312) is 4-amino-5,8-difluoro-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-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
The canonical SMILES for 4-amino-5,8-difluoro-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)ccc(F)c2N1.
What is the InChIKey of 4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
The InChIKey is QRNDCIVPXUEXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-13-3-4-14(22)17-16(13)18(24)26-20(25-17)5-6-27-15(8-20)11-2-1-10(9-23)7-12(11)19(27)28/h1-4,7,25,28H,5-6,8H2,(H2,24,26).
What are the key properties of 4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile?
4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile has a molecular weight of 379.37 g/mol, XLogP of 2.97, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile is sourced from PubChem (CID 54243312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).