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

C26H28N4O2 — CID 46133910

IUPACN-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
SMILESCC(C)CN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H28N4O2/c1-19(2)18-30(15-14-24(31)27-17-21-11-8-16-32-21)26-22-12-6-7-13-23(22)28-25(29-26)20-9-4-3-5-10-20/h3-13,16,19H,14-15,17-18H2,1-2H3,(H,27,31)
InChIKeyAITMLYPVGCZJSE-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.06
Rot. Bonds9

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

N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide (PubChem CID 46133910) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
PubChem CID46133910
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
SMILESCC(C)CN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H28N4O2/c1-19(2)18-30(15-14-24(31)27-17-21-11-8-16-32-21)26-22-12-6-7-13-23(22)28-25(29-26)20-9-4-3-5-10-20/h3-13,16,19H,14-15,17-18H2,1-2H3,(H,27,31)
InChIKeyAITMLYPVGCZJSE-UHFFFAOYSA-N
XLogP5.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 42809506
N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
CID 83273334
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 93299874
N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 42809565
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 4685025
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
N-(furan-2-ylmethyl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 18095906
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001
3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-(4-methoxyphenyl)propanamide
CID 42809628
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853943

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide (CID 46133910) is N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide is CC(C)CN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide?
The InChIKey is AITMLYPVGCZJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19(2)18-30(15-14-24(31)27-17-21-11-8-16-32-21)26-22-12-6-7-13-23(22)28-25(29-26)20-9-4-3-5-10-20/h3-13,16,19H,14-15,17-18H2,1-2H3,(H,27,31).
What are the key properties of N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide?
N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide has a molecular weight of 428.54 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 46133910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).