N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide

C25H24FN5O4 — CID 142689460

IUPACN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(C)=O)c(-c4cc(N(C)C)ccn4)c3F)c2cc1OC
InChIInChI=1S/C25H24FN5O4/c1-14(32)30-17-6-7-20(24(26)23(17)19-10-15(31(2)3)8-9-27-19)35-25-16-11-21(33-4)22(34-5)12-18(16)28-13-29-25/h6-13H,1-5H3,(H,30,32)
InChIKeyJPHZYWWGSOENHD-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.66
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide

N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide (PubChem CID 142689460) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide
PubChem CID142689460
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(C)=O)c(-c4cc(N(C)C)ccn4)c3F)c2cc1OC
InChIInChI=1S/C25H24FN5O4/c1-14(32)30-17-6-7-20(24(26)23(17)19-10-15(31(2)3)8-9-27-19)35-25-16-11-21(33-4)22(34-5)12-18(16)28-13-29-25/h6-13H,1-5H3,(H,30,32)
InChIKeyJPHZYWWGSOENHD-UHFFFAOYSA-N
XLogP4.66
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2,4-difluorophenyl]hydroxylamine
CID 118527987
1-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-2-fluorophenyl]urea
CID 143865447
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-2-fluorophenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
CID 58267789
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane
CID 142986375
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 155206373
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea
CID 22667077

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide (CID 142689460) is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide is COc1cc2ncnc(Oc3ccc(NC(C)=O)c(-c4cc(N(C)C)ccn4)c3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide?
The InChIKey is JPHZYWWGSOENHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-14(32)30-17-6-7-20(24(26)23(17)19-10-15(31(2)3)8-9-27-19)35-25-16-11-21(33-4)22(34-5)12-18(16)28-13-29-25/h6-13H,1-5H3,(H,30,32).
What are the key properties of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide?
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide has a molecular weight of 477.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-[4-(dimethylamino)-2-pyridinyl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 142689460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).