[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate

C24H28FN5O4 — CID 67671472

IUPAC[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate
SMILESCOC(=O)Oc1cc(Nc2ncnc3cc(NCCCN4CCOCC4)ccc23)c(F)cc1C
InChIInChI=1S/C24H28FN5O4/c1-16-12-19(25)21(14-22(16)34-24(31)32-2)29-23-18-5-4-17(13-20(18)27-15-28-23)26-6-3-7-30-8-10-33-11-9-30/h4-5,12-15,26H,3,6-11H2,1-2H3,(H,27,28,29)
InChIKeySDAVJJUOJGRDRH-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.10
Rot. Bonds8

About [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate

[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate (PubChem CID 67671472) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate.

Molecular Properties

Compound Name[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate
PubChem CID67671472
Molecular FormulaC24H28FN5O4
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC Name[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate
SMILESCOC(=O)Oc1cc(Nc2ncnc3cc(NCCCN4CCOCC4)ccc23)c(F)cc1C
InChIInChI=1S/C24H28FN5O4/c1-16-12-19(25)21(14-22(16)34-24(31)32-2)29-23-18-5-4-17(13-20(18)27-15-28-23)26-6-3-7-30-8-10-33-11-9-30/h4-5,12-15,26H,3,6-11H2,1-2H3,(H,27,28,29)
InChIKeySDAVJJUOJGRDRH-UHFFFAOYSA-N
XLogP4.10
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropanoylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate
CID 21260355
[4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate
CID 22624931
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 58780766
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
butanoic acid;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71584867
N-[4-[2-fluoro-5-(5-methyl-2-pyridinyl)anilino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
CID 170136595
(E)-3-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
CID 71555230
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate?
The IUPAC name of [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate (CID 67671472) is [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate.
What is the SMILES notation for [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate?
The canonical SMILES for [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate is COC(=O)Oc1cc(Nc2ncnc3cc(NCCCN4CCOCC4)ccc23)c(F)cc1C.
What is the InChIKey of [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate?
The InChIKey is SDAVJJUOJGRDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-16-12-19(25)21(14-22(16)34-24(31)32-2)29-23-18-5-4-17(13-20(18)27-15-28-23)26-6-3-7-30-8-10-33-11-9-30/h4-5,12-15,26H,3,6-11H2,1-2H3,(H,27,28,29).
What are the key properties of [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate?
[4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate has a molecular weight of 469.52 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-methyl-5-[[7-(3-morpholin-4-ylpropylamino)quinazolin-4-yl]amino]phenyl] methyl carbonate is sourced from PubChem (CID 67671472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).