N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide

C22H23FN4O — CID 75101095

IUPACN-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide
SMILESO=C(NC(CF)Cc1ccccc1)c1cc(C2CNNC2)nc2ccccc12
InChIInChI=1S/C22H23FN4O/c23-12-17(10-15-6-2-1-3-7-15)26-22(28)19-11-21(16-13-24-25-14-16)27-20-9-5-4-8-18(19)20/h1-9,11,16-17,24-25H,10,12-14H2,(H,26,28)
InChIKeyIFOJEIAWRWYIDO-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.74
Rot. Bonds6

About N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide

N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide (PubChem CID 75101095) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide
PubChem CID75101095
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide
SMILESO=C(NC(CF)Cc1ccccc1)c1cc(C2CNNC2)nc2ccccc12
InChIInChI=1S/C22H23FN4O/c23-12-17(10-15-6-2-1-3-7-15)26-22(28)19-11-21(16-13-24-25-14-16)27-20-9-5-4-8-18(19)20/h1-9,11,16-17,24-25H,10,12-14H2,(H,26,28)
InChIKeyIFOJEIAWRWYIDO-UHFFFAOYSA-N
XLogP2.74
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide
CID 75100226
2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 17406063
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide (CID 75101095) is N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide is O=C(NC(CF)Cc1ccccc1)c1cc(C2CNNC2)nc2ccccc12.
What is the InChIKey of N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide?
The InChIKey is IFOJEIAWRWYIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-12-17(10-15-6-2-1-3-7-15)26-22(28)19-11-21(16-13-24-25-14-16)27-20-9-5-4-8-18(19)20/h1-9,11,16-17,24-25H,10,12-14H2,(H,26,28).
What are the key properties of N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide?
N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 75101095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).