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

C27H30N4O2 — CID 93299874

IUPAC3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCC(C)CN(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C27H30N4O2/c1-19(2)18-31(16-15-25(32)28-20(3)21-10-5-4-6-11-21)27-22-12-7-8-13-23(22)29-26(30-27)24-14-9-17-33-24/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,28,32)/t20-/m0/s1
InChIKeyHLOGFSBUXBPZFF-FQEVSTJZSA-N
MW442.56 g/mol
LogP5.62
Rot. Bonds9

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

3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 93299874) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID93299874
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCC(C)CN(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C27H30N4O2/c1-19(2)18-31(16-15-25(32)28-20(3)21-10-5-4-6-11-21)27-22-12-7-8-13-23(22)29-26(30-27)24-14-9-17-33-24/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,28,32)/t20-/m0/s1
InChIKeyHLOGFSBUXBPZFF-FQEVSTJZSA-N
XLogP5.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001
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
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-(1-phenylethyl)propanamide
CID 24718265
3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-(4-methoxyphenyl)propanamide
CID 42809628
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 93299995
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 93140373

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide (CID 93299874) is 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide is CC(C)CN(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is HLOGFSBUXBPZFF-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19(2)18-31(16-15-25(32)28-20(3)21-10-5-4-6-11-21)27-22-12-7-8-13-23(22)29-26(30-27)24-14-9-17-33-24/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,28,32)/t20-/m0/s1.
What are the key properties of 3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide?
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 5.62, 9 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-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 93299874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).