2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one

C29H32N4O3 — CID 123867539

IUPAC2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCC(CN2CC3(CCOC3)N=C2c2ccc(-c3ccc4cccnc4c3)cc2)C1
InChIInChI=1S/C29H32N4O3/c1-20(34)28(35)32-13-10-21(16-32)17-33-18-29(11-14-36-19-29)31-27(33)24-7-4-22(5-8-24)25-9-6-23-3-2-12-30-26(23)15-25/h2-9,12,15,20-21,34H,10-11,13-14,16-19H2,1H3
InChIKeySNRDCXRTTJJTFT-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.35
Rot. Bonds5

About 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one

2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 123867539) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID123867539
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCC(CN2CC3(CCOC3)N=C2c2ccc(-c3ccc4cccnc4c3)cc2)C1
InChIInChI=1S/C29H32N4O3/c1-20(34)28(35)32-13-10-21(16-32)17-33-18-29(11-14-36-19-29)31-27(33)24-7-4-22(5-8-24)25-9-6-23-3-2-12-30-26(23)15-25/h2-9,12,15,20-21,34H,10-11,13-14,16-19H2,1H3
InChIKeySNRDCXRTTJJTFT-UHFFFAOYSA-N
XLogP3.35
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-[[1-(pyrrolidine-1-carbonyl)azetidin-3-yl]methyl]-2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
CID 90001403
3-[[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]methyl]-2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
CID 90001302
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-6-ylphenyl)imidazol-4-one
CID 118125461
3-[[1-(2-hydroxypropanoyl)pyrrolidin-3-yl]methyl]-2-[4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 123557237
4-quinolin-7-ylbenzoic acid
CID 81224662
4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-3-(2-fluoro-4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one
CID 66800656
3-quinolin-7-yloxolan-3-ol
CID 81216118
9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
CID 71550036
2-[4-(3,4,8,8a-tetrahydroquinolin-7-yl)cyclohexa-1,3-dien-1-yl]-3-[[(3R)-1-(2-hydroxypropanoyl)pyrrolidin-3-yl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
CID 129173463
3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-3-(4-quinolin-7-ylphenyl)propanoic acid
CID 71270755
3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-(2-fluoro-5-methyl-4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one
CID 77444090
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
CID 148907845

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 123867539) is 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one is CC(O)C(=O)N1CCC(CN2CC3(CCOC3)N=C2c2ccc(-c3ccc4cccnc4c3)cc2)C1.
What is the InChIKey of 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is SNRDCXRTTJJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20(34)28(35)32-13-10-21(16-32)17-33-18-29(11-14-36-19-29)31-27(33)24-7-4-22(5-8-24)25-9-6-23-3-2-12-30-26(23)15-25/h2-9,12,15,20-21,34H,10-11,13-14,16-19H2,1H3.
What are the key properties of 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one?
2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 484.60 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[[2-(4-quinolin-7-ylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 123867539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).