6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one

C19H25N3O — CID 72848669

IUPAC6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CC[C@@H]4CC[C@H](C3)N4C)cc(=O)c2c1
InChIInChI=1S/C19H25N3O/c1-13-3-6-18-17(9-13)19(23)10-14(20-18)11-22-8-7-15-4-5-16(12-22)21(15)2/h3,6,9-10,15-16H,4-5,7-8,11-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyFSAJJUZXKDRVJY-JKSUJKDBSA-N
MW311.43 g/mol
LogP2.51
Rot. Bonds2

About 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one

6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one (PubChem CID 72848669) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
PubChem CID72848669
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CC[C@@H]4CC[C@H](C3)N4C)cc(=O)c2c1
InChIInChI=1S/C19H25N3O/c1-13-3-6-18-17(9-13)19(23)10-14(20-18)11-22-8-7-15-4-5-16(12-22)21(15)2/h3,6,9-10,15-16H,4-5,7-8,11-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyFSAJJUZXKDRVJY-JKSUJKDBSA-N
XLogP2.51
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one (CID 72848669) is 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3CC[C@@H]4CC[C@H](C3)N4C)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one?
The InChIKey is FSAJJUZXKDRVJY-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-3-6-18-17(9-13)19(23)10-14(20-18)11-22-8-7-15-4-5-16(12-22)21(15)2/h3,6,9-10,15-16H,4-5,7-8,11-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one?
6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one has a molecular weight of 311.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72848669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).