N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C21H24N4O3 — CID 42943283

IUPACN-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C21H24N4O3/c26-20(8-5-16-13-15-3-1-2-4-18(15)23-21(16)27)24-19-7-6-17(14-22-19)25-9-11-28-12-10-25/h1-4,6-7,14,16H,5,8-13H2,(H,23,27)(H,22,24,26)
InChIKeyACQWRCGBDHYMMQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.45
Rot. Bonds5

About N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 42943283) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID42943283
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C21H24N4O3/c26-20(8-5-16-13-15-3-1-2-4-18(15)23-21(16)27)24-19-7-6-17(14-22-19)25-9-11-28-12-10-25/h1-4,6-7,14,16H,5,8-13H2,(H,23,27)(H,22,24,26)
InChIKeyACQWRCGBDHYMMQ-UHFFFAOYSA-N
XLogP2.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 42943283) is N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is ACQWRCGBDHYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(8-5-16-13-15-3-1-2-4-18(15)23-21(16)27)24-19-7-6-17(14-22-19)25-9-11-28-12-10-25/h1-4,6-7,14,16H,5,8-13H2,(H,23,27)(H,22,24,26).
What are the key properties of N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 380.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 42943283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).