2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one

C27H29N3O3S — CID 69084675

IUPAC2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)CN1C1CC1
InChIInChI=1S/C27H29N3O3S/c31-26-11-12-27(19-30(26)23-7-8-23)13-16-29(17-14-27)34(32,33)24-9-5-20(6-10-24)22-4-3-21-2-1-15-28-25(21)18-22/h1-6,9-10,15,18,23H,7-8,11-14,16-17,19H2
InChIKeyUQGIVLGWIVLABY-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.46
Rot. Bonds4

About 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 69084675) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID69084675
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)CN1C1CC1
InChIInChI=1S/C27H29N3O3S/c31-26-11-12-27(19-30(26)23-7-8-23)13-16-29(17-14-27)34(32,33)24-9-5-20(6-10-24)22-4-3-21-2-1-15-28-25(21)18-22/h1-6,9-10,15,18,23H,7-8,11-14,16-17,19H2
InChIKeyUQGIVLGWIVLABY-UHFFFAOYSA-N
XLogP4.46
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-bromophenyl)sulfonyl-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 69083404
4-cyclopropyl-9-[4-(3-fluoroquinolin-7-yl)phenyl]sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 69085061
3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-3-(4-quinolin-7-ylphenyl)propanoic acid
CID 71270755
4-cyclopropyl-9-[(2-hydroxy-4-quinolin-7-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72720578
9-[4-(1-benzofuran-5-yl)phenyl]sulfonyl-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 69084271
9-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 69093041
6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
CID 167907378
4-cyclopropyl-9-[(2,3,6-trifluoro-4-quinolin-7-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72706944
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776
9-[4-(3-fluoroquinolin-7-yl)phenyl]sulfonyl-4-(1-methylcyclopropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 69084417
(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one
CID 97115364
2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70714080

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one (CID 69084675) is 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UQGIVLGWIVLABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c31-26-11-12-27(19-30(26)23-7-8-23)13-16-29(17-14-27)34(32,33)24-9-5-20(6-10-24)22-4-3-21-2-1-15-28-25(21)18-22/h1-6,9-10,15,18,23H,7-8,11-14,16-17,19H2.
What are the key properties of 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 475.61 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 69084675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).