2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride

C20H30Cl2N4O — CID 154911255

IUPAC2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride
SMILESCN1CCCN(Cc2cc(=O)c3ccccc3[nH]2)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C20H28N4O.2ClH/c1-23-11-4-12-24(15-20(23)7-9-21-10-8-20)14-16-13-19(25)17-5-2-3-6-18(17)22-16;;/h2-3,5-6,13,21H,4,7-12,14-15H2,1H3,(H,22,25);2*1H
InChIKeyCNCNLZBPRMQKGL-UHFFFAOYSA-N
MW413.39 g/mol
LogP2.63
Rot. Bonds2

About 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride

2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride (PubChem CID 154911255) has the molecular formula C20H30Cl2N4O and a molecular weight of 413.39 g/mol. Its IUPAC name is 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride
PubChem CID154911255
Molecular FormulaC20H30Cl2N4O
Molecular Weight413.39 g/mol
Exact Mass412.18
IUPAC Name2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride
SMILESCN1CCCN(Cc2cc(=O)c3ccccc3[nH]2)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C20H28N4O.2ClH/c1-23-11-4-12-24(15-20(23)7-9-21-10-8-20)14-16-13-19(25)17-5-2-3-6-18(17)22-16;;/h2-3,5-6,13,21H,4,7-12,14-15H2,1H3,(H,22,25);2*1H
InChIKeyCNCNLZBPRMQKGL-UHFFFAOYSA-N
XLogP2.63
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride?
The IUPAC name of 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride (CID 154911255) is 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride.
What is the SMILES notation for 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride?
The canonical SMILES for 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride is CN1CCCN(Cc2cc(=O)c3ccccc3[nH]2)CC12CCNCC2.Cl.Cl.
What is the InChIKey of 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride?
The InChIKey is CNCNLZBPRMQKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.2ClH/c1-23-11-4-12-24(15-20(23)7-9-21-10-8-20)14-16-13-19(25)17-5-2-3-6-18(17)22-16;;/h2-3,5-6,13,21H,4,7-12,14-15H2,1H3,(H,22,25);2*1H.
What are the key properties of 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride?
2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride has a molecular weight of 413.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride is sourced from PubChem (CID 154911255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).