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

C24H21FN4O2 — CID 141272066

IUPAC3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4ccccc34)c2)cc1F
InChIInChI=1S/C24H21FN4O2/c1-15(28-23-19-8-3-4-9-21(19)26-14-27-23)16-6-5-7-18(12-16)29-24(30)17-10-11-22(31-2)20(25)13-17/h3-15H,1-2H3,(H,29,30)(H,26,27,28)/t15-/m1/s1
InChIKeyBKXRFATZACBYCH-OAHLLOKOSA-N
MW416.46 g/mol
LogP5.20
Rot. Bonds6

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

3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide (PubChem CID 141272066) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
PubChem CID141272066
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4ccccc34)c2)cc1F
InChIInChI=1S/C24H21FN4O2/c1-15(28-23-19-8-3-4-9-21(19)26-14-27-23)16-6-5-7-18(12-16)29-24(30)17-10-11-22(31-2)20(25)13-17/h3-15H,1-2H3,(H,29,30)(H,26,27,28)/t15-/m1/s1
InChIKeyBKXRFATZACBYCH-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

2-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
CID 174641925
4-[[(1R)-1-[3-[(5,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869254
4-[[2-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788365
4-[[3-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66764028
4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide
CID 174641915
4-[1-[3-[(2,3,5-trifluoro-4-methoxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 87139027
4-[[(1R)-1-[3-[(2-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763046
N-[3-[1-amino-3-(dimethylamino)propyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 141272113
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409463
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-[[(1R)-1-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788362

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide (CID 141272066) is 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4ccccc34)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
The InChIKey is BKXRFATZACBYCH-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-15(28-23-19-8-3-4-9-21(19)26-14-27-23)16-6-5-7-18(12-16)29-24(30)17-10-11-22(31-2)20(25)13-17/h3-15H,1-2H3,(H,29,30)(H,26,27,28)/t15-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide?
3-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 3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 141272066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).