4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide

C24H19FN4O3 — CID 174641915

IUPAC4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide
SMILESCC(Nc1ncnc2c(C=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
InChIInChI=1S/C24H19FN4O3/c1-14(28-23-19-7-3-5-17(12-30)22(19)26-13-27-23)15-4-2-6-18(10-15)29-24(32)16-8-9-20(25)21(31)11-16/h2-14,31H,1H3,(H,29,32)(H,26,27,28)
InChIKeyNWWBGMFDCDWKPA-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.71
Rot. Bonds6

About 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide

4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide (PubChem CID 174641915) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide
PubChem CID174641915
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide
SMILESCC(Nc1ncnc2c(C=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
InChIInChI=1S/C24H19FN4O3/c1-14(28-23-19-7-3-5-17(12-30)22(19)26-13-27-23)15-4-2-6-18(10-15)29-24(32)16-8-9-20(25)21(31)11-16/h2-14,31H,1H3,(H,29,32)(H,26,27,28)
InChIKeyNWWBGMFDCDWKPA-UHFFFAOYSA-N
XLogP4.71
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1R)-1-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788362
3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
CID 141272066
4-[[(1R)-1-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763188
4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxylic acid
CID 66763704
4-[[(1R)-1-[3-[(5,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869254
4-[[(1R)-1-[3-[(2-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763046
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
6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763782
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
4-[[(1R)-1-[3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 140638633

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide?
The IUPAC name of 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide (CID 174641915) is 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide?
The canonical SMILES for 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide is CC(Nc1ncnc2c(C=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1.
What is the InChIKey of 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide?
The InChIKey is NWWBGMFDCDWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-14(28-23-19-7-3-5-17(12-30)22(19)26-13-27-23)15-4-2-6-18(10-15)29-24(32)16-8-9-20(25)21(31)11-16/h2-14,31H,1H3,(H,29,32)(H,26,27,28).
What are the key properties of 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide?
4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide has a molecular weight of 430.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide is sourced from PubChem (CID 174641915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).