N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide

C21H21N3O3 — CID 95018401

IUPACN-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C(=O)N1CCOCC1
InChIInChI=1S/C21H21N3O3/c1-14(21(26)24-9-11-27-12-10-24)23-20(25)18-13-15-5-2-3-6-16(15)17-7-4-8-22-19(17)18/h2-8,13-14H,9-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyFNULWRKCRHTJLL-AWEZNQCLSA-N
MW363.42 g/mol
LogP2.37
Rot. Bonds3

About N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide

N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide (PubChem CID 95018401) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
PubChem CID95018401
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C(=O)N1CCOCC1
InChIInChI=1S/C21H21N3O3/c1-14(21(26)24-9-11-27-12-10-24)23-20(25)18-13-15-5-2-3-6-16(15)17-7-4-8-22-19(17)18/h2-8,13-14H,9-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyFNULWRKCRHTJLL-AWEZNQCLSA-N
XLogP2.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 94799939
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide
CID 94813486
3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 107519294
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 55762083
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670
5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115603657
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide
CID 95040746

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide (CID 95018401) is N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide is C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide?
The InChIKey is FNULWRKCRHTJLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(21(26)24-9-11-27-12-10-24)23-20(25)18-13-15-5-2-3-6-16(15)17-7-4-8-22-19(17)18/h2-8,13-14H,9-12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide?
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 95018401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).