N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide

C26H30N2O2 — CID 142273863

IUPACN-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide
SMILESCOCCN1CCCc2ccc(NC(=O)c3ccc(C4=CCC(C)C=C4)cc3)cc21
InChIInChI=1S/C26H30N2O2/c1-19-5-7-20(8-6-19)21-9-11-23(12-10-21)26(29)27-24-14-13-22-4-3-15-28(16-17-30-2)25(22)18-24/h5,7-14,18-19H,3-4,6,15-17H2,1-2H3,(H,27,29)
InChIKeyMVTXWQSKEWRNSC-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.32
Rot. Bonds6

About N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide

N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide (PubChem CID 142273863) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide
PubChem CID142273863
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide
SMILESCOCCN1CCCc2ccc(NC(=O)c3ccc(C4=CCC(C)C=C4)cc3)cc21
InChIInChI=1S/C26H30N2O2/c1-19-5-7-20(8-6-19)21-9-11-23(12-10-21)26(29)27-24-14-13-22-4-3-15-28(16-17-30-2)25(22)18-24/h5,7-14,18-19H,3-4,6,15-17H2,1-2H3,(H,27,29)
InChIKeyMVTXWQSKEWRNSC-UHFFFAOYSA-N
XLogP5.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]formamide
CID 168651977
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
N-[1-(2-ethoxyethyl)-2,3-dihydroindol-6-yl]benzamide
CID 142743444
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27604624
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722
1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
CID 69040269
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
7-isocyano-1-(2-methoxyethyl)-3,4-dihydro-2H-quinoline
CID 160853533
2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide?
The IUPAC name of N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide (CID 142273863) is N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide is COCCN1CCCc2ccc(NC(=O)c3ccc(C4=CCC(C)C=C4)cc3)cc21.
What is the InChIKey of N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide?
The InChIKey is MVTXWQSKEWRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19-5-7-20(8-6-19)21-9-11-23(12-10-21)26(29)27-24-14-13-22-4-3-15-28(16-17-30-2)25(22)18-24/h5,7-14,18-19H,3-4,6,15-17H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide?
N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide has a molecular weight of 402.54 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(4-methylcyclohexa-1,5-dien-1-yl)benzamide is sourced from PubChem (CID 142273863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).