N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide

C26H31FN4O2 — CID 144647329

IUPACN-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(O)NC[C@@H]2c1ccc(F)cc1)c1cnc2c(c1)C=CCC2
InChIInChI=1S/C26H31FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1,3,5-8,15-16,22,25,30,33H,2,4,9-14,17H2,(H,28,32)/t22-,25?/m1/s1
InChIKeyZAVRTQQITLFEMN-UFUCKMQHSA-N
MW450.56 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide

N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide (PubChem CID 144647329) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide
PubChem CID144647329
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC NameN-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(O)NC[C@@H]2c1ccc(F)cc1)c1cnc2c(c1)C=CCC2
InChIInChI=1S/C26H31FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1,3,5-8,15-16,22,25,30,33H,2,4,9-14,17H2,(H,28,32)/t22-,25?/m1/s1
InChIKeyZAVRTQQITLFEMN-UFUCKMQHSA-N
XLogP2.70
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
CID 50902786
N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
CID 50902876
N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 68188986
N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
CID 72697053
2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 72697055
(7S)-N-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282397
2-[4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]cyclohexyl]acetic acid
CID 118282417
US10301306, Example 69
CID 146012400
[1-(3-Fluoro-4-methylbenzoyl)-4-(pyridin-2-YL)pyrrolidin-3-YL]methanol
CID 110203329
(3,4-difluorophenyl)[(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone
CID 110203397
(7S)-N-[(1-acetylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282393

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide?
The IUPAC name of N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide (CID 144647329) is N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide is O=C(NCCN1CCC2(CC1)C(O)NC[C@@H]2c1ccc(F)cc1)c1cnc2c(c1)C=CCC2.
What is the InChIKey of N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide?
The InChIKey is ZAVRTQQITLFEMN-UFUCKMQHSA-N. The full InChI is InChI=1S/C26H31FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1,3,5-8,15-16,22,25,30,33H,2,4,9-14,17H2,(H,28,32)/t22-,25?/m1/s1.
What are the key properties of N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide?
N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-(4-fluorophenyl)-1-hydroxy-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-7,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 144647329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).