N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine

C20H22FN3O2 — CID 165053338

IUPACN-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCC(C)C
InChIInChI=1S/C20H22FN3O2/c1-12(2)10-26-19-8-15-17(9-18(19)25-4)22-11-23-20(15)24-14-5-6-16(21)13(3)7-14/h5-9,11-12H,10H2,1-4H3,(H,22,23,24)
InChIKeyQAAVEUNMMVWSQW-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.86
Rot. Bonds6

About N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine

N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine (PubChem CID 165053338) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
PubChem CID165053338
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCC(C)C
InChIInChI=1S/C20H22FN3O2/c1-12(2)10-26-19-8-15-17(9-18(19)25-4)22-11-23-20(15)24-14-5-6-16(21)13(3)7-14/h5-9,11-12H,10H2,1-4H3,(H,22,23,24)
InChIKeyQAAVEUNMMVWSQW-UHFFFAOYSA-N
XLogP4.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol
CID 164975823
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
6-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-3,4,4a,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 90337698
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine
CID 90337684
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 10337538
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine
CID 90337679
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine (CID 165053338) is N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCC(C)C.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine?
The InChIKey is QAAVEUNMMVWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-12(2)10-26-19-8-15-17(9-18(19)25-4)22-11-23-20(15)24-14-5-6-16(21)13(3)7-14/h5-9,11-12H,10H2,1-4H3,(H,22,23,24).
What are the key properties of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine?
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine has a molecular weight of 355.41 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 165053338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).