N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide

C22H26N2O2 — CID 3103979

IUPACN-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
SMILESCCC(=O)N1c2ccccc2C(N(C(=O)CC)c2ccccc2)CC1C
InChIInChI=1S/C22H26N2O2/c1-4-21(25)23-16(3)15-20(18-13-9-10-14-19(18)23)24(22(26)5-2)17-11-7-6-8-12-17/h6-14,16,20H,4-5,15H2,1-3H3
InChIKeyYDOOEADADLUVBV-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.71
Rot. Bonds4

About N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide

N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide (PubChem CID 3103979) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
PubChem CID3103979
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
SMILESCCC(=O)N1c2ccccc2C(N(C(=O)CC)c2ccccc2)CC1C
InChIInChI=1S/C22H26N2O2/c1-4-21(25)23-16(3)15-20(18-13-9-10-14-19(18)23)24(22(26)5-2)17-11-7-6-8-12-17/h6-14,16,20H,4-5,15H2,1-3H3
InChIKeyYDOOEADADLUVBV-UHFFFAOYSA-N
XLogP4.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide?
The IUPAC name of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide (CID 3103979) is N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide?
The canonical SMILES for N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide is CCC(=O)N1c2ccccc2C(N(C(=O)CC)c2ccccc2)CC1C.
What is the InChIKey of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide?
The InChIKey is YDOOEADADLUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-21(25)23-16(3)15-20(18-13-9-10-14-19(18)23)24(22(26)5-2)17-11-7-6-8-12-17/h6-14,16,20H,4-5,15H2,1-3H3.
What are the key properties of N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide?
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 3103979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).