N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide

C28H28FN5O — CID 50798110

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C28H28FN5O/c29-23-9-2-4-12-27(23)34-18-16-33(17-19-34)15-7-14-31-28(35)22-20-26(25-11-5-6-13-30-25)32-24-10-3-1-8-21(22)24/h1-6,8-13,20H,7,14-19H2,(H,31,35)
InChIKeyKDKBAMKSZQJGNB-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.38
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 50798110) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID50798110
Molecular FormulaC28H28FN5O
Molecular Weight469.56 g/mol
Exact Mass469.23
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C28H28FN5O/c29-23-9-2-4-12-27(23)34-18-16-33(17-19-34)15-7-14-31-28(35)22-20-26(25-11-5-6-13-30-25)32-24-10-3-1-8-21(22)24/h1-6,8-13,20H,7,14-19H2,(H,31,35)
InChIKeyKDKBAMKSZQJGNB-UHFFFAOYSA-N
XLogP4.38
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
1-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)isoquinoline-7-carboxamide
CID 53102384
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 60553437
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119705
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 50798110) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is KDKBAMKSZQJGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c29-23-9-2-4-12-27(23)34-18-16-33(17-19-34)15-7-14-31-28(35)22-20-26(25-11-5-6-13-30-25)32-24-10-3-1-8-21(22)24/h1-6,8-13,20H,7,14-19H2,(H,31,35).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).