2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

C22H23N3O2 — CID 15999108

IUPAC2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C22H23N3O2/c1-15-7-2-4-10-19(15)24-21-13-18(17-9-3-5-11-20(17)25-21)22(26)23-14-16-8-6-12-27-16/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyCJVOLLKLUUNQPQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.20
Rot. Bonds5

About 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 15999108) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID15999108
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C22H23N3O2/c1-15-7-2-4-10-19(15)24-21-13-18(17-9-3-5-11-20(17)25-21)22(26)23-14-16-8-6-12-27-16/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyCJVOLLKLUUNQPQ-UHFFFAOYSA-N
XLogP4.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 15999108) is 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is Cc1ccccc1Nc1cc(C(=O)NCC2CCCO2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is CJVOLLKLUUNQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-7-2-4-10-19(15)24-21-13-18(17-9-3-5-11-20(17)25-21)22(26)23-14-16-8-6-12-27-16/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 15999108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).