N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H24N2O3 — CID 21092960

IUPACN-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(C(=O)N2CCC(N(C(C)=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H24N2O3/c1-18(28)27(20-10-4-3-5-11-20)24-15-16-26(23-14-7-6-13-22(23)24)25(29)19-9-8-12-21(17-19)30-2/h3-14,17,24H,15-16H2,1-2H3
InChIKeyBGAUFWVWADXJMM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.84
Rot. Bonds4

About N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 21092960) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID21092960
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(C(=O)N2CCC(N(C(C)=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C25H24N2O3/c1-18(28)27(20-10-4-3-5-11-20)24-15-16-26(23-14-7-6-13-22(23)24)25(29)19-9-8-12-21(17-19)30-2/h3-14,17,24H,15-16H2,1-2H3
InChIKeyBGAUFWVWADXJMM-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 21092960) is N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is COc1cccc(C(=O)N2CCC(N(C(C)=O)c3ccccc3)c3ccccc32)c1.
What is the InChIKey of N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is BGAUFWVWADXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18(28)27(20-10-4-3-5-11-20)24-15-16-26(23-14-7-6-13-22(23)24)25(29)19-9-8-12-21(17-19)30-2/h3-14,17,24H,15-16H2,1-2H3.
What are the key properties of N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 400.48 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 21092960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).