N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide

C24H27N3O2 — CID 154972404

IUPACN-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide
SMILESCC/C(C)=C/C(=C\N(C)C=O)c1cc2c(cc1Cc1ccccn1)NC(=O)CC2
InChIInChI=1S/C24H27N3O2/c1-4-17(2)11-20(15-27(3)16-28)22-13-18-8-9-24(29)26-23(18)14-19(22)12-21-7-5-6-10-25-21/h5-7,10-11,13-16H,4,8-9,12H2,1-3H3,(H,26,29)/b17-11+,20-15+
InChIKeyQIQBANKAGSEFHF-IXKPFFITSA-N
MW389.50 g/mol
LogP4.34
Rot. Bonds7

About N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide

N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide (PubChem CID 154972404) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide
PubChem CID154972404
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide
SMILESCC/C(C)=C/C(=C\N(C)C=O)c1cc2c(cc1Cc1ccccn1)NC(=O)CC2
InChIInChI=1S/C24H27N3O2/c1-4-17(2)11-20(15-27(3)16-28)22-13-18-8-9-24(29)26-23(18)14-19(22)12-21-7-5-6-10-25-21/h5-7,10-11,13-16H,4,8-9,12H2,1-3H3,(H,26,29)/b17-11+,20-15+
InChIKeyQIQBANKAGSEFHF-IXKPFFITSA-N
XLogP4.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 158423562
N-[(1E)-2-[5-[(2-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide
CID 154972355
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 99585746
N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide
CID 154972336
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111193054
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20865797
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 90390698
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]pyridine-2-carboxamide
CID 110793860
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 99585754
2-oxo-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-7-carboxamide
CID 166369977

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide?
The IUPAC name of N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide (CID 154972404) is N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide.
What is the SMILES notation for N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide?
The canonical SMILES for N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide is CC/C(C)=C/C(=C\N(C)C=O)c1cc2c(cc1Cc1ccccn1)NC(=O)CC2.
What is the InChIKey of N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide?
The InChIKey is QIQBANKAGSEFHF-IXKPFFITSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-17(2)11-20(15-27(3)16-28)22-13-18-8-9-24(29)26-23(18)14-19(22)12-21-7-5-6-10-25-21/h5-7,10-11,13-16H,4,8-9,12H2,1-3H3,(H,26,29)/b17-11+,20-15+.
What are the key properties of N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide?
N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide has a molecular weight of 389.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1E,3E)-4-methyl-2-[2-oxo-7-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-yl]hexa-1,3-dienyl]formamide is sourced from PubChem (CID 154972404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).