6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline

C20H24ClF2N3O2 — CID 168906657

IUPAC6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline
SMILESCC(C)(C)Oc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)cc(Cl)cc12
InChIInChI=1S/C20H24ClF2N3O2/c1-19(2,3)28-17-14-7-12(21)8-15(23)16(14)24-18(25-17)27-11-20-5-4-6-26(20)10-13(22)9-20/h7-8,13H,4-6,9-11H2,1-3H3/t13-,20+/m1/s1
InChIKeyPJQUPGFMBXLOIO-XCLFUZPHSA-N
MW411.88 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline

6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline (PubChem CID 168906657) has the molecular formula C20H24ClF2N3O2 and a molecular weight of 411.88 g/mol. Its IUPAC name is 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline.

Molecular Properties

Compound Name6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline
PubChem CID168906657
Molecular FormulaC20H24ClF2N3O2
Molecular Weight411.88 g/mol
Exact Mass411.15
IUPAC Name6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline
SMILESCC(C)(C)Oc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)cc(Cl)cc12
InChIInChI=1S/C20H24ClF2N3O2/c1-19(2,3)28-17-14-7-12(21)8-15(23)16(14)24-18(25-17)27-11-20-5-4-6-26(20)10-13(22)9-20/h7-8,13H,4-6,9-11H2,1-3H3/t13-,20+/m1/s1
InChIKeyPJQUPGFMBXLOIO-XCLFUZPHSA-N
XLogP4.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.88
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline with MolForge

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Related Compounds

6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline
CID 168906543
6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazoline
CID 175794816
6,8-difluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5S)-1-methyl-3-azabicyclo[3.2.1]octan-3-yl]quinazoline
CID 175636826
tert-butyl 3-[7-bromo-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,5-difluoro-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 176641438
(3R)-1-[7-bromo-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-3-methylpiperidin-3-amine
CID 171613477
tert-butyl 2-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]pyrazolidine-1-carboxylate
CID 176727728
7-bromo-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-iodo-4-methylsulfanylquinazoline
CID 177213366
5-chloro-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 175977386
7-bromo-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-iodo-N,N-dimethylquinazolin-4-amine
CID 169126214
(3S)-1-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 171783300
4-[8-chloro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine
CID 170020224
(3S)-1-[7-(8-chloronaphthalen-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-3-methylpiperidin-3-ol
CID 168906638

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline?
The IUPAC name of 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline (CID 168906657) is 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline.
What is the SMILES notation for 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline?
The canonical SMILES for 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline is CC(C)(C)Oc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)cc(Cl)cc12.
What is the InChIKey of 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline?
The InChIKey is PJQUPGFMBXLOIO-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H24ClF2N3O2/c1-19(2,3)28-17-14-7-12(21)8-15(23)16(14)24-18(25-17)27-11-20-5-4-6-26(20)10-13(22)9-20/h7-8,13H,4-6,9-11H2,1-3H3/t13-,20+/m1/s1.
What are the key properties of 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline?
6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline has a molecular weight of 411.88 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline is sourced from PubChem (CID 168906657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).