N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide

C22H25N5O4S — CID 69462798

IUPACN-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide
SMILESCCN(c1ccccc1)c1ncnc2ccc(NC(=O)CCNC(=O)CS(C)(=O)=O)cc12
InChIInChI=1S/C22H25N5O4S/c1-3-27(17-7-5-4-6-8-17)22-18-13-16(9-10-19(18)24-15-25-22)26-20(28)11-12-23-21(29)14-32(2,30)31/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,23,29)(H,26,28)
InChIKeyUDIFGELKWZETFS-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.28
Rot. Bonds9

About N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide

N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide (PubChem CID 69462798) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide
PubChem CID69462798
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide
SMILESCCN(c1ccccc1)c1ncnc2ccc(NC(=O)CCNC(=O)CS(C)(=O)=O)cc12
InChIInChI=1S/C22H25N5O4S/c1-3-27(17-7-5-4-6-8-17)22-18-13-16(9-10-19(18)24-15-25-22)26-20(28)11-12-23-21(29)14-32(2,30)31/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,23,29)(H,26,28)
InChIKeyUDIFGELKWZETFS-UHFFFAOYSA-N
XLogP2.28
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[[4-(N-ethylanilino)quinazolin-6-yl]amino]-3-oxopropyl]carbamic acid
CID 69463489
N-(4-aminoquinazolin-6-yl)-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 141145315
8-[4-[4-(N-ethylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]anilino]-8-oxooctanoic acid
CID 69164345
N-[4-(2-phenylethylamino)quinazolin-6-yl]-3-(prop-2-enoylamino)propanamide
CID 69463534
ethyl 6-[4-(N-ethylanilino)quinazolin-6-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 168873012
2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
CID 11369740
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539751
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
N-phenazin-2-ylbutanamide
CID 73349412
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide?
The IUPAC name of N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide (CID 69462798) is N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide.
What is the SMILES notation for N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide?
The canonical SMILES for N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide is CCN(c1ccccc1)c1ncnc2ccc(NC(=O)CCNC(=O)CS(C)(=O)=O)cc12.
What is the InChIKey of N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide?
The InChIKey is UDIFGELKWZETFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-3-27(17-7-5-4-6-8-17)22-18-13-16(9-10-19(18)24-15-25-22)26-20(28)11-12-23-21(29)14-32(2,30)31/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,23,29)(H,26,28).
What are the key properties of N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide?
N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide has a molecular weight of 455.54 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-ethylanilino)quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide is sourced from PubChem (CID 69462798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).