2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

C23H25N3O2 — CID 4110000

IUPAC2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C23H25N3O2/c1-17-5-4-6-18(15-17)22-16-20(19-7-2-3-8-21(19)25-22)23(27)24-9-10-26-11-13-28-14-12-26/h2-8,15-16H,9-14H2,1H3,(H,24,27)
InChIKeyQWZQRZFBQCPHAM-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds5

About 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 4110000) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
PubChem CID4110000
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C23H25N3O2/c1-17-5-4-6-18(15-17)22-16-20(19-7-2-3-8-21(19)25-22)23(27)24-9-10-26-11-13-28-14-12-26/h2-8,15-16H,9-14H2,1H3,(H,24,27)
InChIKeyQWZQRZFBQCPHAM-UHFFFAOYSA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (CID 4110000) is 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is QWZQRZFBQCPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-5-4-6-18(15-17)22-16-20(19-7-2-3-8-21(19)25-22)23(27)24-9-10-26-11-13-28-14-12-26/h2-8,15-16H,9-14H2,1H3,(H,24,27).
What are the key properties of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4110000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).