2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

C22H22N2O3 — CID 2931997

IUPAC2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O3/c1-26-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(25)23-14-17-8-5-11-27-17/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,23,25)
InChIKeyRYWRTPWMQOAURL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 2931997) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID2931997
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O3/c1-26-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(25)23-14-17-8-5-11-27-17/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,23,25)
InChIKeyRYWRTPWMQOAURL-UHFFFAOYSA-N
XLogP3.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 2931997) is 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is RYWRTPWMQOAURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(25)23-14-17-8-5-11-27-17/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,23,25).
What are the key properties of 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2931997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).