N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide

C28H23FN4O2 — CID 42809565

IUPACN-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide
SMILESO=C(CCN(Cc1ccco1)c1nc(-c2ccccc2)nc2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C28H23FN4O2/c29-21-10-6-11-22(18-21)30-26(34)15-16-33(19-23-12-7-17-35-23)28-24-13-4-5-14-25(24)31-27(32-28)20-8-2-1-3-9-20/h1-14,17-18H,15-16,19H2,(H,30,34)
InChIKeyNZZYHRJZVOLVNX-UHFFFAOYSA-N
MW466.52 g/mol
LogP6.06
Rot. Bonds8

About N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide

N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide (PubChem CID 42809565) has the molecular formula C28H23FN4O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide
PubChem CID42809565
Molecular FormulaC28H23FN4O2
Molecular Weight466.52 g/mol
Exact Mass466.18
IUPAC NameN-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide
SMILESO=C(CCN(Cc1ccco1)c1nc(-c2ccccc2)nc2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C28H23FN4O2/c29-21-10-6-11-22(18-21)30-26(34)15-16-33(19-23-12-7-17-35-23)28-24-13-4-5-14-25(24)31-27(32-28)20-8-2-1-3-9-20/h1-14,17-18H,15-16,19H2,(H,30,34)
InChIKeyNZZYHRJZVOLVNX-UHFFFAOYSA-N
XLogP6.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 46133910
N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 42809643
3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 42809506
3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
CID 24718255
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925
N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
3-(3-fluorophenyl)-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(furan-2-ylmethyl)urea
CID 11670555
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
CID 83273334
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide (CID 42809565) is N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide is O=C(CCN(Cc1ccco1)c1nc(-c2ccccc2)nc2ccccc12)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide?
The InChIKey is NZZYHRJZVOLVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O2/c29-21-10-6-11-22(18-21)30-26(34)15-16-33(19-23-12-7-17-35-23)28-24-13-4-5-14-25(24)31-27(32-28)20-8-2-1-3-9-20/h1-14,17-18H,15-16,19H2,(H,30,34).
What are the key properties of N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide?
N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide has a molecular weight of 466.52 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 42809565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).