[(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate

C17H15ClFN3O3 — CID 147936250

IUPAC[(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate
SMILESCOC1C=c2ncnc(Nc3ccc(F)c(Cl)c3)c2=C[C@H]1OC(C)=O
InChIInChI=1S/C17H15ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8,15-16H,1-2H3,(H,20,21,22)/t15?,16-/m1/s1
InChIKeyIKVVUPAMYAYHDJ-OEMAIJDKSA-N
MW363.78 g/mol
LogP1.53
Rot. Bonds4

About [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate

[(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate (PubChem CID 147936250) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate.

Molecular Properties

Compound Name[(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate
PubChem CID147936250
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC Name[(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate
SMILESCOC1C=c2ncnc(Nc3ccc(F)c(Cl)c3)c2=C[C@H]1OC(C)=O
InChIInChI=1S/C17H15ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8,15-16H,1-2H3,(H,20,21,22)/t15?,16-/m1/s1
InChIKeyIKVVUPAMYAYHDJ-OEMAIJDKSA-N
XLogP1.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate with MolForge

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Related Compounds

1-[3-[[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547514
methyl 2-[[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19146268
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
3-bromo-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]propanamide
CID 141238309
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
3-chloro-4-fluoroaniline;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;(4-chloro-7-methoxyquinazolin-6-yl) acetate;methane
CID 160564380
1-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865975
N'-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150738
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
2-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenoxy]-N-methylacetamide
CID 70186989
1-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]-3-diethoxyphosphorylpropan-2-one
CID 159161370
4-(3-chloro-4-fluoroanilino)-N-[1-(3-oxobutan-2-yl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 57434064

Frequently Asked Questions

What is the IUPAC name of [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate?
The IUPAC name of [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate (CID 147936250) is [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate.
What is the SMILES notation for [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate?
The canonical SMILES for [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate is COC1C=c2ncnc(Nc3ccc(F)c(Cl)c3)c2=C[C@H]1OC(C)=O.
What is the InChIKey of [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate?
The InChIKey is IKVVUPAMYAYHDJ-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8,15-16H,1-2H3,(H,20,21,22)/t15?,16-/m1/s1.
What are the key properties of [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate?
[(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate has a molecular weight of 363.78 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-4-(3-chloro-4-fluoroanilino)-7-methoxy-6,7-dihydroquinazolin-6-yl] acetate is sourced from PubChem (CID 147936250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).