2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid

C21H27N3O3 — CID 97200460

IUPAC2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
SMILESC[C@H](C1CCN(c2cc(C(=O)O)c3ccccc3n2)CC1)N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-15(23-10-12-27-13-11-23)16-6-8-24(9-7-16)20-14-18(21(25)26)17-4-2-3-5-19(17)22-20/h2-5,14-16H,6-13H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyZYCMXRCBKDMHTL-OAHLLOKOSA-N
MW369.47 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid

2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid (PubChem CID 97200460) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
PubChem CID97200460
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
SMILESC[C@H](C1CCN(c2cc(C(=O)O)c3ccccc3n2)CC1)N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-15(23-10-12-27-13-11-23)16-6-8-24(9-7-16)20-14-18(21(25)26)17-4-2-3-5-19(17)22-20/h2-5,14-16H,6-13H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyZYCMXRCBKDMHTL-OAHLLOKOSA-N
XLogP2.87
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

4-[1-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-4-yl]ethyl]morpholine
CID 72871994
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 46975815
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
N-methyl-N-[1-(4-methylquinolin-2-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172892839
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-ylquinoline-4-carboxamide
CID 92614865
2-N,2-N-dimethyl-6-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 72876686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid (CID 97200460) is 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid is C[C@H](C1CCN(c2cc(C(=O)O)c3ccccc3n2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid?
The InChIKey is ZYCMXRCBKDMHTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(23-10-12-27-13-11-23)16-6-8-24(9-7-16)20-14-18(21(25)26)17-4-2-3-5-19(17)22-20/h2-5,14-16H,6-13H2,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid?
2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid has a molecular weight of 369.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 97200460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).