N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide

C19H18N2O2 — CID 69276532

IUPACN-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H18N2O2/c1-13(14-5-3-7-17(12-14)23-2)21-19(22)16-8-9-18-15(11-16)6-4-10-20-18/h3-13H,1-2H3,(H,21,22)
InChIKeyMPZJGJLCWQDCJB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.73
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide

N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide (PubChem CID 69276532) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
PubChem CID69276532
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H18N2O2/c1-13(14-5-3-7-17(12-14)23-2)21-19(22)16-8-9-18-15(11-16)6-4-10-20-18/h3-13H,1-2H3,(H,21,22)
InChIKeyMPZJGJLCWQDCJB-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
CID 70703950
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-9H-indeno[2,1-c]pyridine-7-carboxamide
CID 159247547
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide (CID 69276532) is N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide is COc1cccc(C(C)NC(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide?
The InChIKey is MPZJGJLCWQDCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(14-5-3-7-17(12-14)23-2)21-19(22)16-8-9-18-15(11-16)6-4-10-20-18/h3-13H,1-2H3,(H,21,22).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide?
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 69276532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).