(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide

C19H18N2O2 — CID 8781732

IUPAC(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H18N2O2/c1-13-6-3-9-16(12-13)23-14(2)19(22)21-17-10-4-7-15-8-5-11-20-18(15)17/h3-12,14H,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyFHNVCDHQYLJVCB-AWEZNQCLSA-N
MW306.37 g/mol
LogP3.95
Rot. Bonds4

About (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide

(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide (PubChem CID 8781732) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide
PubChem CID8781732
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H18N2O2/c1-13-6-3-9-16(12-13)23-14(2)19(22)21-17-10-4-7-15-8-5-11-20-18(15)17/h3-12,14H,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyFHNVCDHQYLJVCB-AWEZNQCLSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide
CID 20895141
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
2-(3-methylphenoxy)-N-pyridin-2-ylpropanamide
CID 78802552
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2R)-N-(2-hydroxy-3-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95788721
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide (CID 8781732) is (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide?
The InChIKey is FHNVCDHQYLJVCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-6-3-9-16(12-13)23-14(2)19(22)21-17-10-4-7-15-8-5-11-20-18(15)17/h3-12,14H,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide?
(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 8781732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).