(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol

C18H16FN5O — CID 54091219

IUPAC(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol
SMILESNC1=N[C@@]2(CCn3c(O)c4ccncc4c3C2)Nc2cccc(F)c21
InChIInChI=1S/C18H16FN5O/c19-12-2-1-3-13-15(12)16(20)23-18(22-13)5-7-24-14(8-18)11-9-21-6-4-10(11)17(24)25/h1-4,6,9,22,25H,5,7-8H2,(H2,20,23)/t18-/m1/s1
InChIKeyMTZQDLHGMBMLME-GOSISDBHSA-N
MW337.36 g/mol
LogP2.35
Rot. Bonds

About (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol

(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol (PubChem CID 54091219) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol.

Molecular Properties

Compound Name(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol
PubChem CID54091219
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol
SMILESNC1=N[C@@]2(CCn3c(O)c4ccncc4c3C2)Nc2cccc(F)c21
InChIInChI=1S/C18H16FN5O/c19-12-2-1-3-13-15(12)16(20)23-18(22-13)5-7-24-14(8-18)11-9-21-6-4-10(11)17(24)25/h1-4,6,9,22,25H,5,7-8H2,(H2,20,23)/t18-/m1/s1
InChIKeyMTZQDLHGMBMLME-GOSISDBHSA-N
XLogP2.35
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol?
The IUPAC name of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol (CID 54091219) is (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol.
What is the SMILES notation for (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol?
The canonical SMILES for (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol is NC1=N[C@@]2(CCn3c(O)c4ccncc4c3C2)Nc2cccc(F)c21.
What is the InChIKey of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol?
The InChIKey is MTZQDLHGMBMLME-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-12-2-1-3-13-15(12)16(20)23-18(22-13)5-7-24-14(8-18)11-9-21-6-4-10(11)17(24)25/h1-4,6,9,22,25H,5,7-8H2,(H2,20,23)/t18-/m1/s1.
What are the key properties of (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol?
(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol has a molecular weight of 337.36 g/mol, XLogP of 2.35, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol is sourced from PubChem (CID 54091219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).