6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one

C19H23N3O3 — CID 135107759

IUPAC6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)c2c1
InChIInChI=1S/C19H23N3O3/c1-12-3-4-17-15(5-12)16(6-18(23)20-17)19(24)22-8-13-7-21(2)9-14(22)11-25-10-13/h3-6,13-14H,7-11H2,1-2H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyAPCHRCIAJIEWLU-KBPBESRZSA-N
MW341.41 g/mol
LogP1.24
Rot. Bonds1

About 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one

6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one (PubChem CID 135107759) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one
PubChem CID135107759
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)c2c1
InChIInChI=1S/C19H23N3O3/c1-12-3-4-17-15(5-12)16(6-18(23)20-17)19(24)22-8-13-7-21(2)9-14(22)11-25-10-13/h3-6,13-14H,7-11H2,1-2H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyAPCHRCIAJIEWLU-KBPBESRZSA-N
XLogP1.24
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one (CID 135107759) is 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)c2c1.
What is the InChIKey of 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one?
The InChIKey is APCHRCIAJIEWLU-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-3-4-17-15(5-12)16(6-18(23)20-17)19(24)22-8-13-7-21(2)9-14(22)11-25-10-13/h3-6,13-14H,7-11H2,1-2H3,(H,20,23)/t13-,14-/m0/s1.
What are the key properties of 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one?
6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 135107759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).