N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide

C21H24N2O2 — CID 169199905

IUPACN-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc2c(C3=CCC4(CC3)CC4)cccc2c1
InChIInChI=1S/C21H24N2O2/c1-14(13-24)23-20(25)17-11-16-3-2-4-18(19(16)22-12-17)15-5-7-21(8-6-15)9-10-21/h2-5,11-12,14,24H,6-10,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyJOUYWHZBUYUVGV-CQSZACIVSA-N
MW336.44 g/mol
LogP3.69
Rot. Bonds4

About N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide (PubChem CID 169199905) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
PubChem CID169199905
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc2c(C3=CCC4(CC3)CC4)cccc2c1
InChIInChI=1S/C21H24N2O2/c1-14(13-24)23-20(25)17-11-16-3-2-4-18(19(16)22-12-17)15-5-7-21(8-6-15)9-10-21/h2-5,11-12,14,24H,6-10,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyJOUYWHZBUYUVGV-CQSZACIVSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
CID 175968292
8-(4,4-dimethylcyclohexen-1-yl)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]quinoline-3-carboxamide
CID 169199896
8-(4,4-difluorocyclohexen-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]quinoline-3-carboxamide
CID 169199941
6-methoxy-N-propan-2-yl-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide
CID 169199765
8-(4-fluoro-4-methylcyclohexen-1-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]quinoline-3-carboxamide
CID 169199912
(3R)-3-[[8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carbonyl]amino]butanoic acid
CID 170163441
N-[(2R)-4-aminobutan-2-yl]-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170164620
N-[(2R)-4-amino-4-oxobutan-2-yl]-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170163967
5-(2,2-difluorospiro[3.5]non-7-en-7-yl)-N-propan-2-ylquinoline-3-carboxamide
CID 169199808
N-[(1S)-1-pyridin-2-ylethyl]-8-[(4R)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170288189
8-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[(2R)-1-hydroxypropan-2-yl]-6-methoxyquinoline-3-carboxamide
CID 166552529
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide (CID 169199905) is N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide is C[C@H](CO)NC(=O)c1cnc2c(C3=CCC4(CC3)CC4)cccc2c1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
The InChIKey is JOUYWHZBUYUVGV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(13-24)23-20(25)17-11-16-3-2-4-18(19(16)22-12-17)15-5-7-21(8-6-15)9-10-21/h2-5,11-12,14,24H,6-10,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-8-spiro[2.5]oct-6-en-6-ylquinoline-3-carboxamide is sourced from PubChem (CID 169199905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).