2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide

C24H21FN4O2 — CID 174641925

IUPAC2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4ccccc34)c2)c(F)c1
InChIInChI=1S/C24H21FN4O2/c1-15(28-23-20-8-3-4-9-22(20)26-14-27-23)16-6-5-7-17(12-16)29-24(30)19-11-10-18(31-2)13-21(19)25/h3-15H,1-2H3,(H,29,30)(H,26,27,28)/t15-/m1/s1
InChIKeyBIEQWSLGYBYVGP-OAHLLOKOSA-N
MW416.46 g/mol
LogP5.20
Rot. Bonds6

About 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide

2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide (PubChem CID 174641925) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
PubChem CID174641925
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4ccccc34)c2)c(F)c1
InChIInChI=1S/C24H21FN4O2/c1-15(28-23-20-8-3-4-9-22(20)26-14-27-23)16-6-5-7-17(12-16)29-24(30)19-11-10-18(31-2)13-21(19)25/h3-15H,1-2H3,(H,29,30)(H,26,27,28)/t15-/m1/s1
InChIKeyBIEQWSLGYBYVGP-OAHLLOKOSA-N
XLogP5.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R)-1-[3-[(2-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763046
3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
CID 141272066
4-[1-[3-[(2,3,5-trifluoro-4-methoxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 87139027
4-[[(1R)-1-[3-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763509
4-[[(1R)-1-[3-[(5,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869254
4-[[(1R)-1-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763188
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
4-[[1-[3-[(2,4-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46868957

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide (CID 174641925) is 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4ccccc34)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
The InChIKey is BIEQWSLGYBYVGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-15(28-23-20-8-3-4-9-22(20)26-14-27-23)16-6-5-7-17(12-16)29-24(30)19-11-10-18(31-2)13-21(19)25/h3-15H,1-2H3,(H,29,30)(H,26,27,28)/t15-/m1/s1.
What are the key properties of 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 174641925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).