N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C19H21N3O2 — CID 71572132

IUPACN-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccccc3n2)o1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-18(24-13)17-12-15(19(23)20-10-11-22(2)3)14-6-4-5-7-16(14)21-17/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyDZDCOMHLCZWIBQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 71572132) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID71572132
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccccc3n2)o1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-18(24-13)17-12-15(19(23)20-10-11-22(2)3)14-6-4-5-7-16(14)21-17/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyDZDCOMHLCZWIBQ-UHFFFAOYSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
N-[2-(ethylamino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18145630
N-[(3,4-dichlorophenyl)methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1220612
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 71572132) is N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccccc3n2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is DZDCOMHLCZWIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-8-9-18(24-13)17-12-15(19(23)20-10-11-22(2)3)14-6-4-5-7-16(14)21-17/h4-9,12H,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 71572132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).