N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide

C25H24N2O3 — CID 10573075

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-2-30-22-15-11-19(12-16-22)24(28)26-21-13-9-20(10-14-21)25(29)27-17-5-7-18-6-3-4-8-23(18)27/h3-4,6,8-16H,2,5,7,17H2,1H3,(H,26,28)
InChIKeyQTSTWTMFTCWPOG-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.93
Rot. Bonds5

About N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide (PubChem CID 10573075) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide
PubChem CID10573075
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-2-30-22-15-11-19(12-16-22)24(28)26-21-13-9-20(10-14-21)25(29)27-17-5-7-18-6-3-4-8-23(18)27/h3-4,6,8-16H,2,5,7,17H2,1H3,(H,26,28)
InChIKeyQTSTWTMFTCWPOG-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide (CID 10573075) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide?
The InChIKey is QTSTWTMFTCWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-30-22-15-11-19(12-16-22)24(28)26-21-13-9-20(10-14-21)25(29)27-17-5-7-18-6-3-4-8-23(18)27/h3-4,6,8-16H,2,5,7,17H2,1H3,(H,26,28).
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 10573075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).