2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide

C21H28N4O3 — CID 46975816

IUPAC2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H28N4O3/c1-16(15-24-6-10-27-11-7-24)22-21(26)18-14-20(25-8-12-28-13-9-25)23-19-5-3-2-4-17(18)19/h2-5,14,16H,6-13,15H2,1H3,(H,22,26)
InChIKeyINRIIAKVRVWXCH-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.52
Rot. Bonds5

About 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide

2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 46975816) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
PubChem CID46975816
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H28N4O3/c1-16(15-24-6-10-27-11-7-24)22-21(26)18-14-20(25-8-12-28-13-9-25)23-19-5-3-2-4-17(18)19/h2-5,14,16H,6-13,15H2,1H3,(H,22,26)
InChIKeyINRIIAKVRVWXCH-UHFFFAOYSA-N
XLogP1.52
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184
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
N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
CID 133486230
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
CID 97200460
1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide
CID 51095427
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
CID 46091077

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide (CID 46975816) is 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide is CC(CN1CCOCC1)NC(=O)c1cc(N2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is INRIIAKVRVWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-16(15-24-6-10-27-11-7-24)22-21(26)18-14-20(25-8-12-28-13-9-25)23-19-5-3-2-4-17(18)19/h2-5,14,16H,6-13,15H2,1H3,(H,22,26).
What are the key properties of 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46975816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).