N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide

C21H20N2O3 — CID 97278158

IUPACN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](CNC(=O)c1cccc3ncccc13)C2
InChIInChI=1S/C21H20N2O3/c1-25-16-8-7-15-10-14(13-26-20(15)11-16)12-23-21(24)18-4-2-6-19-17(18)5-3-9-22-19/h2-9,11,14H,10,12-13H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyIGELDLOBHPWTRJ-AWEZNQCLSA-N
MW348.40 g/mol
LogP3.22
Rot. Bonds4

About N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide

N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide (PubChem CID 97278158) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide
PubChem CID97278158
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](CNC(=O)c1cccc3ncccc13)C2
InChIInChI=1S/C21H20N2O3/c1-25-16-8-7-15-10-14(13-26-20(15)11-16)12-23-21(24)18-4-2-6-19-17(18)5-3-9-22-19/h2-9,11,14H,10,12-13H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyIGELDLOBHPWTRJ-AWEZNQCLSA-N
XLogP3.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinoline-5-carboxamide
CID 72926769
2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97281996
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 74234910
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 97123888
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154823005
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 74240064
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide?
The IUPAC name of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide (CID 97278158) is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide is COc1ccc2c(c1)OC[C@H](CNC(=O)c1cccc3ncccc13)C2.
What is the InChIKey of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide?
The InChIKey is IGELDLOBHPWTRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-16-8-7-15-10-14(13-26-20(15)11-16)12-23-21(24)18-4-2-6-19-17(18)5-3-9-22-19/h2-9,11,14H,10,12-13H2,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide?
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide is sourced from PubChem (CID 97278158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).