N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

C22H29N3O2 — CID 10714015

IUPACN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc2ccccc21
InChIInChI=1S/C22H29N3O2/c1-14(2)13-25-20-7-5-4-6-15(20)10-19(22(25)27)21(26)23-16-11-17-8-9-18(12-16)24(17)3/h4-7,10,14,16-18H,8-9,11-13H2,1-3H3,(H,23,26)/t16?,17-,18+
InChIKeyNUXDPMIIYZUQDE-AYHJJNSGSA-N
MW367.49 g/mol
LogP3.01
Rot. Bonds4

About N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (PubChem CID 10714015) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
PubChem CID10714015
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc2ccccc21
InChIInChI=1S/C22H29N3O2/c1-14(2)13-25-20-7-5-4-6-15(20)10-19(22(25)27)21(26)23-16-11-17-8-9-18(12-16)24(17)3/h4-7,10,14,16-18H,8-9,11-13H2,1-3H3,(H,23,26)/t16?,17-,18+
InChIKeyNUXDPMIIYZUQDE-AYHJJNSGSA-N
XLogP3.01
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (CID 10714015) is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc2ccccc21.
What is the InChIKey of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is NUXDPMIIYZUQDE-AYHJJNSGSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14(2)13-25-20-7-5-4-6-15(20)10-19(22(25)27)21(26)23-16-11-17-8-9-18(12-16)24(17)3/h4-7,10,14,16-18H,8-9,11-13H2,1-3H3,(H,23,26)/t16?,17-,18+.
What are the key properties of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 10714015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).