N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide

C21H22N4OS — CID 24520045

IUPACN-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCCNc1nc(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H22N4OS/c1-2-22-19-16-10-6-7-11-17(16)24-21(25-19)27-18(14-8-4-3-5-9-14)20(26)23-15-12-13-15/h3-11,15,18H,2,12-13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyKEESYPLHQVWVFW-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.17
Rot. Bonds7

About N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide

N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide (PubChem CID 24520045) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
PubChem CID24520045
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCCNc1nc(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H22N4OS/c1-2-22-19-16-10-6-7-11-17(16)24-21(25-19)27-18(14-8-4-3-5-9-14)20(26)23-15-12-13-15/h3-11,15,18H,2,12-13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyKEESYPLHQVWVFW-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
CID 51237217
(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
N-cyclopropyl-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134304
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
N-(1,1-dioxothiolan-3-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 17415616
(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 41138316
N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide
CID 51237233
methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
CID 154752589
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 92839691
N-cyclopropyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46825180
N-cyclopropyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824360
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 46640249

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide (CID 24520045) is N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide is CCNc1nc(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The InChIKey is KEESYPLHQVWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-2-22-19-16-10-6-7-11-17(16)24-21(25-19)27-18(14-8-4-3-5-9-14)20(26)23-15-12-13-15/h3-11,15,18H,2,12-13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide has a molecular weight of 378.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 24520045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).