N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide

C24H23N3O3 — CID 167851966

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCN(C)CCOc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1
InChIInChI=1S/C24H23N3O3/c1-27(2)12-14-29-18-8-5-7-17(15-18)25-24(28)20-16-22(23-11-6-13-30-23)26-21-10-4-3-9-19(20)21/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,28)
InChIKeyYHWJZKVCKOGGPX-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.69
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 167851966) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID167851966
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCN(C)CCOc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1
InChIInChI=1S/C24H23N3O3/c1-27(2)12-14-29-18-8-5-7-17(15-18)25-24(28)20-16-22(23-11-6-13-30-23)26-21-10-4-3-9-19(20)21/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,28)
InChIKeyYHWJZKVCKOGGPX-UHFFFAOYSA-N
XLogP4.69
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 2371457
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
N-(3-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205
N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
CID 55638886

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 167851966) is N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide is CN(C)CCOc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is YHWJZKVCKOGGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-27(2)12-14-29-18-8-5-7-17(15-18)25-24(28)20-16-22(23-11-6-13-30-23)26-21-10-4-3-9-19(20)21/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 167851966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).