[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol

C21H24FN3O2 — CID 164975823

IUPAC[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol
SMILESCc1cc(Nc2ncnc3cc(CO)c(OCCC(C)C)cc23)ccc1F
InChIInChI=1S/C21H24FN3O2/c1-13(2)6-7-27-20-10-17-19(9-15(20)11-26)23-12-24-21(17)25-16-4-5-18(22)14(3)8-16/h4-5,8-10,12-13,26H,6-7,11H2,1-3H3,(H,23,24,25)
InChIKeyDTLMAULSFSFQEU-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.74
Rot. Bonds7

About [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol

[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol (PubChem CID 164975823) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol
PubChem CID164975823
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol
SMILESCc1cc(Nc2ncnc3cc(CO)c(OCCC(C)C)cc23)ccc1F
InChIInChI=1S/C21H24FN3O2/c1-13(2)6-7-27-20-10-17-19(9-15(20)11-26)23-12-24-21(17)25-16-4-5-18(22)14(3)8-16/h4-5,8-10,12-13,26H,6-7,11H2,1-3H3,(H,23,24,25)
InChIKeyDTLMAULSFSFQEU-UHFFFAOYSA-N
XLogP4.74
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol with MolForge

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Related Compounds

N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
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-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 22460838
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-propoxyquinazolin-4-amine
CID 59772897
2-[4-(3,4-difluoroanilino)-7-methoxyquinazolin-6-yl]acetate
CID 163197421
4-(3-chloro-4-fluoroanilino)-6-[2-(difluoromethoxy)ethoxy]quinazolin-7-ol
CID 137150071
1-[1-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
CID 90337658
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol?
The IUPAC name of [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol (CID 164975823) is [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol.
What is the SMILES notation for [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol?
The canonical SMILES for [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol is Cc1cc(Nc2ncnc3cc(CO)c(OCCC(C)C)cc23)ccc1F.
What is the InChIKey of [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol?
The InChIKey is DTLMAULSFSFQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-13(2)6-7-27-20-10-17-19(9-15(20)11-26)23-12-24-21(17)25-16-4-5-18(22)14(3)8-16/h4-5,8-10,12-13,26H,6-7,11H2,1-3H3,(H,23,24,25).
What are the key properties of [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol?
[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol has a molecular weight of 369.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol is sourced from PubChem (CID 164975823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).