3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide

C31H30N4O2 — CID 93300001

IUPAC3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C31H30N4O2/c1-23(25-13-6-3-7-14-25)32-29(36)19-21-35(20-18-24-11-4-2-5-12-24)31-26-15-8-9-16-27(26)33-30(34-31)28-17-10-22-37-28/h2-17,22-23H,18-21H2,1H3,(H,32,36)/t23-/m1/s1
InChIKeyCIUJASGKLACOFY-HSZRJFAPSA-N
MW490.61 g/mol
LogP6.21
Rot. Bonds10

About 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide

3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 93300001) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID93300001
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC Name3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C31H30N4O2/c1-23(25-13-6-3-7-14-25)32-29(36)19-21-35(20-18-24-11-4-2-5-12-24)31-26-15-8-9-16-27(26)33-30(34-31)28-17-10-22-37-28/h2-17,22-23H,18-21H2,1H3,(H,32,36)/t23-/m1/s1
InChIKeyCIUJASGKLACOFY-HSZRJFAPSA-N
XLogP6.21
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 93299874
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-(1-phenylethyl)propanamide
CID 24718265
N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 83280150
N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 93299995
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051
N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 46133910
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-(4-methoxyphenyl)propanamide
CID 42809628
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 86921929

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide (CID 93300001) is 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is CIUJASGKLACOFY-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-23(25-13-6-3-7-14-25)32-29(36)19-21-35(20-18-24-11-4-2-5-12-24)31-26-15-8-9-16-27(26)33-30(34-31)28-17-10-22-37-28/h2-17,22-23H,18-21H2,1H3,(H,32,36)/t23-/m1/s1.
What are the key properties of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 490.61 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 93300001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).