N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide

C24H26Cl2N4O — CID 83282770

IUPACN-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide
SMILESCCc1nc(N(CCC(=O)NC2CC2)CCc2ccccc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C24H26Cl2N4O/c1-2-21-28-23-19(14-17(25)15-20(23)26)24(29-21)30(12-10-16-6-4-3-5-7-16)13-11-22(31)27-18-8-9-18/h3-7,14-15,18H,2,8-13H2,1H3,(H,27,31)
InChIKeyRGLXITFOIZCWRB-UHFFFAOYSA-N
MW457.41 g/mol
LogP5.22
Rot. Bonds9

About N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide

N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide (PubChem CID 83282770) has the molecular formula C24H26Cl2N4O and a molecular weight of 457.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide
PubChem CID83282770
Molecular FormulaC24H26Cl2N4O
Molecular Weight457.41 g/mol
Exact Mass456.15
IUPAC NameN-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide
SMILESCCc1nc(N(CCC(=O)NC2CC2)CCc2ccccc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C24H26Cl2N4O/c1-2-21-28-23-19(14-17(25)15-20(23)26)24(29-21)30(12-10-16-6-4-3-5-7-16)13-11-22(31)27-18-8-9-18/h3-7,14-15,18H,2,8-13H2,1H3,(H,27,31)
InChIKeyRGLXITFOIZCWRB-UHFFFAOYSA-N
XLogP5.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 83280150
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-cyclopropylpropanamide
CID 5022129
N-cyclopropyl-2-phenylacetamide
CID 5175687
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156
3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
CID 42809423
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142229062

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide (CID 83282770) is N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide is CCc1nc(N(CCC(=O)NC2CC2)CCc2ccccc2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide?
The InChIKey is RGLXITFOIZCWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O/c1-2-21-28-23-19(14-17(25)15-20(23)26)24(29-21)30(12-10-16-6-4-3-5-7-16)13-11-22(31)27-18-8-9-18/h3-7,14-15,18H,2,8-13H2,1H3,(H,27,31).
What are the key properties of N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide?
N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide has a molecular weight of 457.41 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 83282770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).