(6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol

C19H24ClN3O — CID 163315789

IUPAC(6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(c3ccnc4cc(Cl)ccc34)C2)C1
InChIInChI=1S/C19H24ClN3O/c1-22-10-6-18(24)19(12-22)7-2-9-23(13-19)17-5-8-21-16-11-14(20)3-4-15(16)17/h3-5,8,11,18,24H,2,6-7,9-10,12-13H2,1H3/t18-,19-/m0/s1
InChIKeyYZNJUAWVHFIRDO-OALUTQOASA-N
MW345.87 g/mol
LogP3.17
Rot. Bonds1

About (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol

(6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol (PubChem CID 163315789) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name(6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol
PubChem CID163315789
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name(6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(c3ccnc4cc(Cl)ccc34)C2)C1
InChIInChI=1S/C19H24ClN3O/c1-22-10-6-18(24)19(12-22)7-2-9-23(13-19)17-5-8-21-16-11-14(20)3-4-15(16)17/h3-5,8,11,18,24H,2,6-7,9-10,12-13H2,1H3/t18-,19-/m0/s1
InChIKeyYZNJUAWVHFIRDO-OALUTQOASA-N
XLogP3.17
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol with MolForge

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Related Compounds

(5S)-9-(7-chloroquinolin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97200285
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
CID 133315313
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol
CID 163307849
7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
CID 133315656
(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 126437170
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
CID 78871227
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691

Frequently Asked Questions

What is the IUPAC name of (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
The IUPAC name of (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol (CID 163315789) is (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol.
What is the SMILES notation for (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
The canonical SMILES for (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol is CN1CC[C@H](O)[C@@]2(CCCN(c3ccnc4cc(Cl)ccc34)C2)C1.
What is the InChIKey of (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
The InChIKey is YZNJUAWVHFIRDO-OALUTQOASA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-22-10-6-18(24)19(12-22)7-2-9-23(13-19)17-5-8-21-16-11-14(20)3-4-15(16)17/h3-5,8,11,18,24H,2,6-7,9-10,12-13H2,1H3/t18-,19-/m0/s1.
What are the key properties of (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
(6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol has a molecular weight of 345.87 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-2-(7-chloroquinolin-4-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 163315789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).