N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide

C24H32N4O4 — CID 92638296

IUPACN-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCN(CCO)C(=O)c1cc([C@@H]2CN(C(=O)CN3CCCCC3)CCO2)nc2ccccc12
InChIInChI=1S/C24H32N4O4/c1-26(11-13-29)24(31)19-15-21(25-20-8-4-3-7-18(19)20)22-16-28(12-14-32-22)23(30)17-27-9-5-2-6-10-27/h3-4,7-8,15,22,29H,2,5-6,9-14,16-17H2,1H3/t22-/m0/s1
InChIKeyWTHSWKHSNAKMFV-QFIPXVFZSA-N
MW440.54 g/mol
LogP1.68
Rot. Bonds6

About N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide

N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92638296) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92638296
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
SMILESCN(CCO)C(=O)c1cc([C@@H]2CN(C(=O)CN3CCCCC3)CCO2)nc2ccccc12
InChIInChI=1S/C24H32N4O4/c1-26(11-13-29)24(31)19-15-21(25-20-8-4-3-7-18(19)20)22-16-28(12-14-32-22)23(30)17-27-9-5-2-6-10-27/h3-4,7-8,15,22,29H,2,5-6,9-14,16-17H2,1H3/t22-/m0/s1
InChIKeyWTHSWKHSNAKMFV-QFIPXVFZSA-N
XLogP1.68
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
CID 92638738
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638455
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 124994060
N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92639051
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
N,N-dimethyl-2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638391
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide (CID 92638296) is N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide is CN(CCO)C(=O)c1cc([C@@H]2CN(C(=O)CN3CCCCC3)CCO2)nc2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is WTHSWKHSNAKMFV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-26(11-13-29)24(31)19-15-21(25-20-8-4-3-7-18(19)20)22-16-28(12-14-32-22)23(30)17-27-9-5-2-6-10-27/h3-4,7-8,15,22,29H,2,5-6,9-14,16-17H2,1H3/t22-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide?
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).