N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C25H24N2O5 — CID 41090476

IUPACN-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC[C@H](O)COCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C25H24N2O5/c1-30-19-10-8-17(9-11-19)24-13-22(21-6-2-3-7-23(21)27-24)25(29)26-14-18(28)15-31-16-20-5-4-12-32-20/h2-13,18,28H,14-16H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyVEWPYDSRUGMUOW-SFHVURJKSA-N
MW432.48 g/mol
LogP3.81
Rot. Bonds9

About N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 41090476) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID41090476
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC[C@H](O)COCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C25H24N2O5/c1-30-19-10-8-17(9-11-19)24-13-22(21-6-2-3-7-23(21)27-24)25(29)26-14-18(28)15-31-16-20-5-4-12-32-20/h2-13,18,28H,14-16H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyVEWPYDSRUGMUOW-SFHVURJKSA-N
XLogP3.81
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
CID 86981104
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 41090476) is N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC[C@H](O)COCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is VEWPYDSRUGMUOW-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-30-19-10-8-17(9-11-19)24-13-22(21-6-2-3-7-23(21)27-24)25(29)26-14-18(28)15-31-16-20-5-4-12-32-20/h2-13,18,28H,14-16H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 41090476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).