N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide

C20H19FN4O — CID 42809176

IUPACN-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
SMILESO=C(NCCNc1nc(C2CC2)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O/c21-15-9-7-14(8-10-15)20(26)23-12-11-22-19-16-3-1-2-4-17(16)24-18(25-19)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,23,26)(H,22,24,25)
InChIKeyPMGAXSSQYMRYSR-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide

N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide (PubChem CID 42809176) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
PubChem CID42809176
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
SMILESO=C(NCCNc1nc(C2CC2)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O/c21-15-9-7-14(8-10-15)20(26)23-12-11-22-19-16-3-1-2-4-17(16)24-18(25-19)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,23,26)(H,22,24,25)
InChIKeyPMGAXSSQYMRYSR-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 42809242
N-[2-[[6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 42679920
2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 69221519
4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267198
4-chloro-N-[2-[[1-(3-chlorophenyl)-6-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzamide
CID 42674096
4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
CID 3206673
4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42809231
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
CID 42809222
1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol
CID 171988229
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid
CID 113083527

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide (CID 42809176) is N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide is O=C(NCCNc1nc(C2CC2)nc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide?
The InChIKey is PMGAXSSQYMRYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-9-7-14(8-10-15)20(26)23-12-11-22-19-16-3-1-2-4-17(16)24-18(25-19)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,23,26)(H,22,24,25).
What are the key properties of N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide?
N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide has a molecular weight of 350.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 42809176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).