2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide

C18H18FN5O3 — CID 139397318

IUPAC2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide
SMILESCOc1c(N)cc2ncnc(Nc3ccc(F)cc3OCC(N)=O)c2c1C
InChIInChI=1S/C18H18FN5O3/c1-9-16-13(6-11(20)17(9)26-2)22-8-23-18(16)24-12-4-3-10(19)5-14(12)27-7-15(21)25/h3-6,8H,7,20H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyQIQNBLNMUGNKAT-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide

2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide (PubChem CID 139397318) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide
PubChem CID139397318
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide
SMILESCOc1c(N)cc2ncnc(Nc3ccc(F)cc3OCC(N)=O)c2c1C
InChIInChI=1S/C18H18FN5O3/c1-9-16-13(6-11(20)17(9)26-2)22-8-23-18(16)24-12-4-3-10(19)5-14(12)27-7-15(21)25/h3-6,8H,7,20H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyQIQNBLNMUGNKAT-UHFFFAOYSA-N
XLogP2.28
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[[(3aR,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluorophenyl]-6-methoxy-5-methylquinazoline-4,7-diamine
CID 144956164
2-[2-[(7-amino-5-chloro-6-methoxyquinazolin-4-yl)amino]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide;methylsulfanylmethane
CID 144956191
(2R)-2-[2-[(7-bromo-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]propanoic acid
CID 130404372
cyclopentanol;2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]acetamide
CID 144764685
2-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
CID 144764652
2-[(7-bromo-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenol
CID 118498229
2-[5-fluoro-2-[(5-methyl-7-thionitrosoquinazolin-4-yl)amino]phenoxy]-N-prop-2-ynylacetamide
CID 144764636
2-[2-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-5-fluorophenoxy]-N-ethylacetamide
CID 144764726
methyl 4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413295
4-[2-(2,2-difluoroethoxy)-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 91808099
4-N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylquinazoline-4,7-diamine;methanethiol;methanol
CID 144623004
2-[7-bromo-4-[4-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)anilino]-5-methylquinazolin-6-yl]acetic acid
CID 137369389

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide?
The IUPAC name of 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide (CID 139397318) is 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide.
What is the SMILES notation for 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide?
The canonical SMILES for 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide is COc1c(N)cc2ncnc(Nc3ccc(F)cc3OCC(N)=O)c2c1C.
What is the InChIKey of 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide?
The InChIKey is QIQNBLNMUGNKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-9-16-13(6-11(20)17(9)26-2)22-8-23-18(16)24-12-4-3-10(19)5-14(12)27-7-15(21)25/h3-6,8H,7,20H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide?
2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide has a molecular weight of 371.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-amino-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]acetamide is sourced from PubChem (CID 139397318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).