N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane

C19H27N3O2 — CID 143161684

IUPACN-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane
SMILESC=C(N)/C=C(\C)NC(=O)c1c[nH]c2ccccc2c1=O.CC.CC
InChIInChI=1S/C15H15N3O2.2C2H6/c1-9(16)7-10(2)18-15(20)12-8-17-13-6-4-3-5-11(13)14(12)19;2*1-2/h3-8H,1,16H2,2H3,(H,17,19)(H,18,20);2*1-2H3/b10-7+;;
InChIKeyDMAMQERTXVNONB-WRQJSNHTSA-N
MW329.44 g/mol
LogP3.69
Rot. Bonds3

About N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane

N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane (PubChem CID 143161684) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane
PubChem CID143161684
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane
SMILESC=C(N)/C=C(\C)NC(=O)c1c[nH]c2ccccc2c1=O.CC.CC
InChIInChI=1S/C15H15N3O2.2C2H6/c1-9(16)7-10(2)18-15(20)12-8-17-13-6-4-3-5-11(13)14(12)19;2*1-2/h3-8H,1,16H2,2H3,(H,17,19)(H,18,20);2*1-2H3/b10-7+;;
InChIKeyDMAMQERTXVNONB-WRQJSNHTSA-N
XLogP3.69
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-5-amino-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 143161648
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 42562478
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane?
The IUPAC name of N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane (CID 143161684) is N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane.
What is the SMILES notation for N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane?
The canonical SMILES for N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane is C=C(N)/C=C(\C)NC(=O)c1c[nH]c2ccccc2c1=O.CC.CC.
What is the InChIKey of N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane?
The InChIKey is DMAMQERTXVNONB-WRQJSNHTSA-N. The full InChI is InChI=1S/C15H15N3O2.2C2H6/c1-9(16)7-10(2)18-15(20)12-8-17-13-6-4-3-5-11(13)14(12)19;2*1-2/h3-8H,1,16H2,2H3,(H,17,19)(H,18,20);2*1-2H3/b10-7+;;.
What are the key properties of N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane?
N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane has a molecular weight of 329.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane is sourced from PubChem (CID 143161684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).