N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide

C26H28N4OS — CID 93300017

IUPACN-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
SMILESCCCN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H28N4OS/c1-3-16-30(17-15-24(31)27-19(2)20-10-5-4-6-11-20)26-21-12-7-8-13-22(21)28-25(29-26)23-14-9-18-32-23/h4-14,18-19H,3,15-17H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyWFXYRBKUEZKKKR-LJQANCHMSA-N
MW444.60 g/mol
LogP5.84
Rot. Bonds9

About N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide

N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide (PubChem CID 93300017) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
PubChem CID93300017
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC NameN-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
SMILESCCCN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H28N4OS/c1-3-16-30(17-15-24(31)27-19(2)20-10-5-4-6-11-20)26-21-12-7-8-13-22(21)28-25(29-26)23-14-9-18-32-23/h4-14,18-19H,3,15-17H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyWFXYRBKUEZKKKR-LJQANCHMSA-N
XLogP5.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one
CID 42809633
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 93299874
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 93140373
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-(1-phenylethyl)propanamide
CID 24718265
N-(3-fluorophenyl)-3-[2-methoxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 42809643
2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
CID 91964438
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051
1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol
CID 133313174
2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 17447593
N-benzyl-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 83281785
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide (CID 93300017) is N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide is CCCN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
The InChIKey is WFXYRBKUEZKKKR-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-3-16-30(17-15-24(31)27-19(2)20-10-5-4-6-11-20)26-21-12-7-8-13-22(21)28-25(29-26)23-14-9-18-32-23/h4-14,18-19H,3,15-17H2,1-2H3,(H,27,31)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide?
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide has a molecular weight of 444.60 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 93300017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).