N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide

C24H27FN4O3 — CID 26029365

IUPACN-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1)Nc1cccc(F)c1
InChIInChI=1S/C24H27FN4O3/c25-19-5-3-6-20(15-19)26-22(30)16-28-10-12-29(13-11-28)23(31)9-8-18-14-17-4-1-2-7-21(17)27-24(18)32/h1-7,15,18H,8-14,16H2,(H,26,30)(H,27,32)/t18-/m0/s1
InChIKeyNBJRVVOGNDEHFP-SFHVURJKSA-N
MW438.50 g/mol
LogP2.50
Rot. Bonds6

About N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide (PubChem CID 26029365) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide
PubChem CID26029365
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC NameN-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1)Nc1cccc(F)c1
InChIInChI=1S/C24H27FN4O3/c25-19-5-3-6-20(15-19)26-22(30)16-28-10-12-29(13-11-28)23(31)9-8-18-14-17-4-1-2-7-21(17)27-24(18)32/h1-7,15,18H,8-14,16H2,(H,26,30)(H,27,32)/t18-/m0/s1
InChIKeyNBJRVVOGNDEHFP-SFHVURJKSA-N
XLogP2.50
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide (CID 26029365) is N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide?
The InChIKey is NBJRVVOGNDEHFP-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27FN4O3/c25-19-5-3-6-20(15-19)26-22(30)16-28-10-12-29(13-11-28)23(31)9-8-18-14-17-4-1-2-7-21(17)27-24(18)32/h1-7,15,18H,8-14,16H2,(H,26,30)(H,27,32)/t18-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide has a molecular weight of 438.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 26029365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).